[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate (CED0096796)

Record Information

Version

1.0

Creation Date

2026-08-19 22:33:57 UTC

Update Date

2026-08-19 22:33:57 UTC

SynCED ID

CED0096796

Secondary Accession Numbers

CHEM194347

Identification

Common Name

[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate

Class

Small Molecule

Description

[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate belongs to the diradylglycerols, a subclass of glycerolipids within the organic compounds. This compound has the formula C17H38O6Si3 and an average molecular weight of 422.70 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₃₈O₆Si₃

Average Molecular Mass

422.700 g/mol

Monoisotopic Mass

422.198 g/mol

CAS Registry Number

69861-02-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C17H38O6Si3/c1-15(2)17(19)21-14-16(18)13-20-11-10-12-26(9,22-24(3,4)5)23-25(6,7)8/h16,18H,1,10-14H2,2-9H3

InChI Key

NBOCBWJUDBATAS-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2828.0 Log mg/kg [1600:5000]	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
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
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	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
CEDs000730	Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.	Healthcare, pharmaceuticals & veterinary products	PubChem
CEDs000732	Spectacle Cases?Spectacle cases can serve as a source of synthetic chemical contamination due to the materials used in their production, such as polycarbonate, PVC, and various plastics, which may leach harmful substances over time.	Healthcare, pharmaceuticals & veterinary products	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
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	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.215 Low confidence Statistical Significance 0.0108 Supporting Reference Compounds 10 E-value 84.155
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.222 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 3 E-value 27.0915
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.222 Low confidence Statistical Significance 0.1704 Supporting Reference Compounds 40 E-value 1326.78
Click to view 3D structure	Lysophosphatidic acid receptor 5	Q9H1C0	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.222 Low confidence Statistical Significance 0.0463 Supporting Reference Compounds 12 E-value 360.364
Click to view 3D structure	Cell division protein FtsZ	P9WN95	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0435 Supporting Reference Compounds 1 E-value 338.644
Click to view 3D structure	Probable G-protein coupled receptor 174	Q9BXC1	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.215 Low confidence Statistical Significance 0.0129 Supporting Reference Compounds 8 E-value 100.659
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.177 Low confidence Statistical Significance 0.0151 Supporting Reference Compounds 1 E-value 117.474
Click to view 3D structure	Isoleucine--tRNA ligase	P56690	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.171 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 1 E-value 14.9471
Click to view 3D structure	Probable G-protein coupled receptor 34	Q9UPC5	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.215 Low confidence Statistical Significance 0.0986 Supporting Reference Compounds 11 E-value 767.983
Click to view 3D structure	G protein-coupled receptor 34a	Q6XCC7	Danio rerio	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.197 Low confidence Statistical Significance 0.0105 Supporting Reference Compounds 2 E-value 81.7417
Click to view 3D structure	G protein-coupled receptor 34b	B0S6P9	Danio rerio	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.197 Low confidence Statistical Significance 0.0105 Supporting Reference Compounds 2 E-value 81.7417
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.188 Low confidence Statistical Significance 0.9481 Supporting Reference Compounds 385 E-value 7380.73
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.188 Low confidence Statistical Significance 0.9314 Supporting Reference Compounds 310 E-value 7251.27
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.202 Low confidence Statistical Significance 0.9747 Supporting Reference Compounds 797 E-value 7588.12
Click to view 3D structure	Probable G-protein coupled receptor 174	Q3U507	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.197 Low confidence Statistical Significance 0.0306 Supporting Reference Compounds 3 E-value 237.985
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.4438
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.175 Low confidence Statistical Significance 0.3421 Supporting Reference Compounds 48 E-value 2663.22
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.175 Low confidence Statistical Significance 0.2591 Supporting Reference Compounds 37 E-value 2017.0
Click to view 3D structure	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.164 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 12.923
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.237 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.5522
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 17.8275
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.222 Low confidence Statistical Significance 0.0397 Supporting Reference Compounds 21 E-value 309.373
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.222 Low confidence Statistical Significance 0.0901 Supporting Reference Compounds 31 E-value 701.266
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.222 Low confidence Statistical Significance 0.0516 Supporting Reference Compounds 30 E-value 401.78
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.222 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 9 E-value 40.6373