Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50210132

Structure

InChI Key PLXLQGPXPXIVKM-UHFFFAOYSA-N
Smiles ClCCC[Si](OCCC)(OCCC)OCCC
InChI
InChI=1/C12H27ClO3Si/c1-4-9-14-17(12-7-8-13,15-10-5-2)16-11-6-3/h4-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27ClO3Si
Molecular Weight 282.14
AlogP 3.83
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 27.69
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 61214-12-8
NORMAN SUSDAT
PubChem 3017244