tris(isopropenyloxy)phenyl silane (CED0048301)

Record Information

Version

1.0

Creation Date

2016-06-03 12:38:09 UTC

Update Date

2026-08-19 11:42:40 UTC

Accession Number

CHEM044862

Identification

Common Name

tris(isopropenyloxy)phenyl silane

Class

Small Molecule

Description

tris(isopropenyloxy)phenyl silane is an organic compound with the formula C15H20O3Si and an average molecular weight of 276.41 g/mol. It is found in or released from two recorded sources: electrical and electronic equipment, specifically power cables and loudspeakers. tris(isopropenyloxy)phenyl silane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀O₃Si

Average Molecular Mass

276.407 g/mol

Monoisotopic Mass

276.118 g/mol

CAS Registry Number

52301-18-5

IUPAC Name

phenyltris(prop-1-en-2-yloxy)silane

Traditional Name

phenyltris(prop-1-en-2-yloxy)silane

SMILES

CC(=C)O[Si](OC(C)=C)(OC(C)=C)C1=CC=CC=C1

InChI Identifier

InChI=1S/C15H20O3Si/c1-12(2)16-19(17-13(3)4,18-14(5)6)15-10-8-7-9-11-15/h7-11H,1,3,5H2,2,4,6H3

InChI Key

XGIZTLFJCDBRDD-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
Benzenoid
Monocyclic benzene moiety
Organoheterosilane
Organic metalloid salt
Silyl enol ether
Organic oxygen compound
Hydrocarbon derivative
Organic salt
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	0.026 g/L	ALOGPS
logP	4.53	ALOGPS
logP	2.69	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	27.69 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	75.15 m³·mol⁻¹	ChemAxon
Polarizability	28.72 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004r-2090000000-1b7bfb3c4c5910ebc0ce	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-4910000000-1c1cd7dd046b50345405	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000f-9100000000-b2e67f69f80b3a40b9e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0090000000-203a8a1478bbc984b2f3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-2090000000-1971871eaae7717a1d8b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-63466a1bdec33a36e32f	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2385.0	Log mg/kg	[1300:4200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

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	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	144.332
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1418.57
Click to view 3D structure	Lignostilbene alpha, beta-dioxygenase	O87171	Sphingomonas paucimobilis	Predicted (SEA)	10.7432
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1177.08
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	62.9022
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	1349.98
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	973.66
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	1100.63
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	2193.09
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	2188.26
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	1879.75
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	107.51
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	1909.56
Click to view 3D structure	Eukaryotic translation initiation factor 4 gamma 2	Q62448	Mus musculus	Predicted (SEA)	91.7842
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	1545.0
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	1075.18
Click to view 3D structure	Metabotropic glutamate receptor 5	P41594	Humans	Predicted (SEA)	1058.98
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	225.763
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	4729.5
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	3154.53
Click to view 3D structure	D-amino-acid oxidase	P14920	Humans	Predicted (SEA)	190.575
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	1370.61
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	4178.87
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	6261.49
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	976.229