Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 28GN3UC2RF
EPA CompTox DTXSID4061096

Structure

InChI Key DZEFNRWGWQDGTR-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCC#C
InChI
InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26
Molecular Weight 194.2
AlogP 4.93
Number of Rotational Bond 10.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 765-10-6
NORMAN SUSDAT
FDA SRS 28GN3UC2RF
PubChem 69823
ChemSpider 63021.0