Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90169756

Structure

InChI Key WUGOQZFPNUYUOO-UHFFFAOYSA-N
Smiles O=C(OCCO[Si](C)(C)C)C(=C)C
InChI
InChI=1/C9H18O3Si/c1-8(2)9(10)11-6-7-12-13(3,4)5/h1,6-7H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18O3Si
Molecular Weight 202.1
AlogP 1.96
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 35.53
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 17407-09-9
NORMAN SUSDAT
PubChem 87094