Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50939336

Structure

InChI Key UTDZETSWQLQWER-UHFFFAOYSA-N
Smiles O=P(OCC)(OCC)CC[Si](OCC)(OCC)C
InChI
InChI=1/C11H27O5PSi/c1-6-13-17(12,14-7-2)10-11-18(5,15-8-3)16-9-4/h6-11H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H27O5PSi
Molecular Weight 298.14
AlogP 3.4
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 11.0
Polar Surface Area 53.99
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 18048-06-1
NORMAN SUSDAT
PubChem 87430