Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KH577LIA74
EPA CompTox DTXSID1065421

Structure

InChI Key PJLHTVIBELQURV-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCC=C
InChI
InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30
Molecular Weight 210.23
AlogP 5.87
Number of Rotational Bond 12.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 13360-61-7
NORMAN SUSDAT
FDA SRS KH577LIA74
PubChem 25913
ChemSpider 24142.0