Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30985331

Structure

InChI Key JBDMKOVTOUIKFI-UHFFFAOYSA-N
Smiles O=C(OCCC[Si](OC)(C)C)C(=C)C
InChI
InChI=1/C10H20O3Si/c1-9(2)10(11)13-7-6-8-14(4,5)12-3/h1,6-8H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O3Si
Molecular Weight 216.12
AlogP 2.35
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 66753-64-8
NORMAN SUSDAT
PubChem 3017711