Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID101001458

Structure

InChI Key CHPNMYQJQQGAJS-UHFFFAOYSA-N
Smiles O=C(OCCC[Si](OC(C)C)(OC(C)C)OC(C)C)C(=C)C
InChI
InChI=1/C16H32O5Si/c1-12(2)16(17)18-10-9-11-22(19-13(3)4,20-14(5)6)21-15(7)8/h13-15H,1,9-11H2,2-8H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O5Si
Molecular Weight 332.2
AlogP 3.71
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 11.0
Polar Surface Area 53.99
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 80750-05-6
NORMAN SUSDAT
PubChem 3018959