Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70939671

Structure

InChI Key QXKMQBOTKLTKOE-UHFFFAOYSA-N
Smiles O=C(OCCC[Si](Cl)(Cl)C)C(=C)C
InChI
InChI=1/C8H14Cl2O2Si/c1-7(2)8(11)12-5-4-6-13(3,9)10/h1,4-6H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14Cl2O2Si
Molecular Weight 240.01
AlogP 3.05
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 18301-56-9
NORMAN SUSDAT
PubChem 87569