Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90886234

Structure

InChI Key FLWVGSJSYVWGTC-ONEGZZNKSA-N
Smiles O(CCCCCCCCCCC=CCC)C1OCCCC1
InChI
InChI=1/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,19H,2,5-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H36O2
Molecular Weight 296.27
AlogP 6.01
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 18.46
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 57586-92-2
NORMAN SUSDAT
PubChem 6436684