Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6066284

Structure

InChI Key ZEOGFXACYDZIKN-UHFFFAOYSA-N
Smiles O=C(OCC)C(C(=O)OCC)C[Si](C)(C)C
InChI
InChI=1/C11H22O4Si/c1-6-14-10(12)9(8-16(3,4)5)11(13)15-7-2/h9H,6-8H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O4Si
Molecular Weight 246.13
AlogP 2.07
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 52.6
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 17962-38-8
NORMAN SUSDAT
PubChem 87376