Hexamethoxydisilylethane (CED0192376)

Record Information

Version

1.0

Creation Date

2016-05-19 03:27:07 UTC

Update Date

2026-08-24 18:22:04 UTC

SynCED ID

CED0192376

Secondary Accession Numbers

CHEM010721

Identification

Common Name

Hexamethoxydisilylethane

Class

Small Molecule

Description

Hexamethoxydisilylethane is an organometallic compound with the chemical formula C8H22O6Si2 and an average molecular weight of 270.43 g/mol. Hexamethoxydisilylethane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This substance has been identified as being found in or released from one recorded source: Electrical & Electronic Equipment (Cores Yokes Or Armatures).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
BTMSE CPD	MeSH
Bis(trimethoxysilyl)ethane	MeSH
1,2-Bis(trimethoxysilyl)ethane	MeSH

Chemical Formula

C₈H₂₂O₆Si₂

Average Molecular Mass

270.428 g/mol

Monoisotopic Mass

270.095 g/mol

CAS Registry Number

18406-41-2

IUPAC Name

3,3,6,6-tetramethoxy-2,7-dioxa-3,6-disilaoctane

Traditional Name

hexamethoxydisilylethane

SMILES

CO[Si](CC[Si](OC)(OC)OC)(OC)OC

InChI Identifier

InChI=1S/C8H22O6Si2/c1-9-15(10-2,11-3)7-8-16(12-4,13-5)14-6/h7-8H2,1-6H3

InChI Key

JCGDCINCKDQXDX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).

Kingdom

Organic compounds

Super Class

Organometallic compounds

Class

Organometalloid compounds

Sub Class

Organosilicon compounds

Direct Parent

Trialkoxysilanes

Alternative Parents

Substituents

Trialkoxysilane
Silyl ether
Organoheterosilane
Organic metalloid salt
Organic oxygen compound
Hydrocarbon derivative
Organic salt
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	1.24 g/L	ALOGPS
logP	1.25	ALOGPS
logP	1.02	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.38 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	51.21 m³·mol⁻¹	ChemAxon
Polarizability	26.07 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0490000000-bb17195f91a5af3fa5fd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dr-1090000000-2846e62966e5a8d14471	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ab9-1900000000-1f4cd3bd1aa108312e9f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00xr-2890000000-391088f46e2d26bdcb3f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0590000000-737bb634026b69ac94e9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ab9-3890000000-d9ecba8376b7f0e2cabc	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2417.0 Log mg/kg [1400:4300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000513	Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.172 Low confidence Statistical Significance 0.8581 Supporting Reference Compounds 185 E-value 6680.24
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.172 Low confidence Statistical Significance 0.5 Supporting Reference Compounds 40 E-value 3892.31
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.172 Low confidence Statistical Significance 0.9264 Supporting Reference Compounds 380 E-value 7211.95
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.2 Low confidence Statistical Significance 0.9355 Supporting Reference Compounds 472 E-value 7282.87
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.172 Low confidence Statistical Significance 0.9876 Supporting Reference Compounds 955 E-value 7688.08
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.171 Low confidence Statistical Significance 0.9896 Supporting Reference Compounds 1660 E-value 7704.11
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.171 Low confidence Statistical Significance 0.9882 Supporting Reference Compounds 1157 E-value 7693.37
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.171 Low confidence Statistical Significance 0.9817 Supporting Reference Compounds 906 E-value 7642.46
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.171 Low confidence Statistical Significance 0.9837 Supporting Reference Compounds 834 E-value 7658.34
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.167 Low confidence Statistical Significance 0.9938 Supporting Reference Compounds 825 E-value 7736.5
Click to view 3D structure	Serine/threonine-protein kinase PAK 4	O96013	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9808 Supporting Reference Compounds 728 E-value 7635.45
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9857 Supporting Reference Compounds 735 E-value 7673.52
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9846 Supporting Reference Compounds 967 E-value 7665.03
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9815 Supporting Reference Compounds 733 E-value 7640.75
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9819 Supporting Reference Compounds 754 E-value 7643.78
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9868 Supporting Reference Compounds 811 E-value 7682.24
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9827 Supporting Reference Compounds 807 E-value 7649.93
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.9842 Supporting Reference Compounds 1017 E-value 7662.08
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.983 Supporting Reference Compounds 779 E-value 7652.89
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.172 Low confidence Statistical Significance 0.9907 Supporting Reference Compounds 823 E-value 7712.91
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.154 Low confidence Statistical Significance 0.5535 Supporting Reference Compounds 92 E-value 4308.72
Click to view 3D structure	Bifunctional dihydrofolate reductase-thymidylate synthase	Q27713	Plasmodium berghei str. ANKA	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.154 Low confidence Statistical Significance 0.115 Supporting Reference Compounds 14 E-value 895.266
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.172 Low confidence Statistical Significance 0.9757 Supporting Reference Compounds 541 E-value 7595.9
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.171 Low confidence Statistical Significance 0.9806 Supporting Reference Compounds 727 E-value 7634.21
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.171 Low confidence Statistical Significance 0.9796 Supporting Reference Compounds 742 E-value 7626.11