Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3044881

Structure

InChI Key MVCSJYRFFFDKCX-UHFFFAOYSA-N
Smiles O=C(OC)NCCC[Si](OC)(OC)OC
InChI
InChI=1/C8H19NO5Si/c1-11-8(10)9-6-5-7-15(12-2,13-3)14-4/h5-7H2,1-4H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19NO5Si
Molecular Weight 237.1
AlogP 0.82
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 69.51
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 23432-62-4
NORMAN SUSDAT
PubChem 90098