Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00232708

Structure

InChI Key OMWMVXLMZPYUHG-UHFFFAOYSA-N
Smiles O=CC1=CC=C(O[Si](OC)(OC)C)C(OC)=C1
InChI
InChI=1/C11H16O5Si/c1-13-11-7-9(8-12)5-6-10(11)16-17(4,14-2)15-3/h5-8H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16O5Si
Molecular Weight 256.08
AlogP 1.75
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 53.99
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 83817-63-4
NORMAN SUSDAT
PubChem 20836208