Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5B0U2S314C
EPA CompTox DTXSID3029235

Structure

InChI Key VQOXUMQBYILCKR-UHFFFAOYSA-N
Smiles CCCCCCCCCCCC=C
InChI
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H26
Molecular Weight 182.2
AlogP 5.09
Number of Rotational Bond 10.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2437-56-1
NORMAN SUSDAT
FDA SRS 5B0U2S314C
PubChem 17095
ChemSpider 16180.0