Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2AY95L2HC4
EPA CompTox DTXSID50966046

Structure

InChI Key XTVNGRMJOGNDOG-UHFFFAOYSA-N
Smiles O=C(OC(C)C[Si](OC)(OC)OC)C(=C)C
InChI
InChI=1/C10H20O5Si/c1-8(2)10(11)15-9(3)7-16(12-4,13-5)14-6/h9H,1,7H2,2-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O5Si
Molecular Weight 248.11
AlogP 1.37
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 53.99
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 51749-70-3
NORMAN SUSDAT
FDA SRS 2AY95L2HC4
PubChem 103532