Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10885002

Structure

InChI Key HHBOIIOOTUCYQD-UHFFFAOYSA-N
Smiles O(CCC[Si](OCC)(C)C)CC1OC1
InChI
InChI=1/C10H22O3Si/c1-4-13-14(2,3)7-5-6-11-8-10-9-12-10/h10H,4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O3Si
Molecular Weight 218.13
AlogP 2.03
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 30.99
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 17963-04-1
NORMAN SUSDAT
PubChem 62719