Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7069154

Structure

InChI Key DMZPTAFGSRVFIA-UHFFFAOYSA-N
Smiles O=C(OCCC[Si](OCCOC)(OCCOC)OCCOC)C(=C)C
InChI
InChI=1/C16H32O8Si/c1-15(2)16(17)21-7-6-14-25(22-11-8-18-3,23-12-9-19-4)24-13-10-20-5/h1,6-14H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O8Si
Molecular Weight 380.19
AlogP 1.42
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 17.0
Polar Surface Area 81.68
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 57069-48-4
NORMAN SUSDAT
PubChem 92644