Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 565LK7ZN7L
EPA CompTox DTXSID90164009

Structure

InChI Key DQMRXALBJIVORP-UHFFFAOYSA-N
Smiles SCCC[Si](OC)(C)C
InChI
InChI=1/C6H16OSSi/c1-7-9(2,3)6-4-5-8/h8H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H16OSSi
Molecular Weight 164.07
AlogP 2.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 14857-97-7
NORMAN SUSDAT
FDA SRS 565LK7ZN7L
PubChem 84673