Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2065387

Structure

InChI Key FBADCSUQBLLAHW-UHFFFAOYSA-N
Smiles O=C(C=C(O[Si](C)(C)C)C)C
InChI
InChI=1/C8H16O2Si/c1-7(9)6-8(2)10-11(3,4)5/h6H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O2Si
Molecular Weight 172.09
AlogP 2.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13257-81-3
NORMAN SUSDAT
PubChem 114632