Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30941558

Structure

InChI Key BHZBVWCLMYQFQX-UHFFFAOYSA-N
Smiles O1CC1CCCCCCCCCCCCCCCCCC
InChI
InChI=1/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21-20/h20H,2-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H40O
Molecular Weight 296.31
AlogP 7.04
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 12.53
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 19780-16-6
NORMAN SUSDAT
PubChem 89221