Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10940983

Structure

InChI Key HBOYQHJSMXAOKY-UHFFFAOYSA-N
Smiles O=C(OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C)C(=C)C
InChI
InChI=1/C14H32O4Si3/c1-13(2)14(15)16-11-10-12-21(9,17-19(3,4)5)18-20(6,7)8/h1,10-12H2,2-9H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H32O4Si3
Molecular Weight 348.16
AlogP 4.27
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 44.76
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 19309-90-1
NORMAN SUSDAT
PubChem 88005