Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10204017

Structure

InChI Key FPJPAIQDDFIEKJ-UHFFFAOYSA-N
Smiles N#CCCC[Si](OC)(OC)OC
InChI
InChI=1/C7H15NO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-5,7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO3Si
Molecular Weight 189.08
AlogP 1.17
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 51.48
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 55453-24-2
NORMAN SUSDAT
PubChem 2757978