Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GV4EC5VSB8
EPA CompTox DTXSID3066342

Structure

InChI Key DVNPFNZTPMWRAX-UHFFFAOYSA-N
Smiles SCC[Si](OCC)(OCC)OCC
InChI
InChI=1/C8H20O3SSi/c1-4-9-13(8-7-12,10-5-2)11-6-3/h12H,4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20O3SSi
Molecular Weight 224.09
AlogP 1.96
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 27.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 18236-15-2
NORMAN SUSDAT
FDA SRS GV4EC5VSB8
PubChem 87521