Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FV2A6Y5H7J
EPA CompTox DTXSID7066352

Structure

InChI Key IKBFHCBHLOZDKH-UHFFFAOYSA-N
Smiles ClCC[Si](OCC)(OCC)OCC
InChI
InChI=1/C8H19ClO3Si/c1-4-10-13(8-7-9,11-5-2)12-6-3/h4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19ClO3Si
Molecular Weight 226.08
AlogP 2.27
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 27.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 18279-67-9
NORMAN SUSDAT
FDA SRS FV2A6Y5H7J
PubChem 87550