Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90201862

Structure

InChI Key YDVQLGHYJSJBKA-UHFFFAOYSA-N
Smiles O=C(O[Si](OC(=O)C)(OC(=O)C)CCCCl)C
InChI
InChI=1/C9H15ClO6Si/c1-7(11)14-17(6-4-5-10,15-8(2)12)16-9(3)13/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15ClO6Si
Molecular Weight 282.03
AlogP 1.24
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 78.9
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 53620-50-1
NORMAN SUSDAT
PubChem 104546