Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6BHH7ZD637
EPA CompTox DTXSID1029257

Structure

InChI Key VAMFXQBUQXONLZ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H40
Molecular Weight 280.31
AlogP 7.82
Number of Rotational Bond 17.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 3452-07-1
NORMAN SUSDAT
FDA SRS 6BHH7ZD637
PubChem 18936
ChemSpider 17879.0