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

Structure

InChI Key XWQFXZFKKAPFLO-UHFFFAOYSA-N
Smiles C[Si]1(CC[Si](C)(O1)c1ccccc1)c1ccccc1;C[Si]1(CC[Si](C)(O1)c2ccccc2)c3ccccc3
InChI
InChI=1S/C16H20OSi2/c1-18(15-9-5-3-6-10-15)13-14-19(2,17-18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20O1Si2
Molecular Weight 284.11
AlogP 2.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 17964-44-2
NORMAN SUSDAT