Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WN5PG18MPD
EPA CompTox DTXSID3061972

Structure

InChI Key FBXWCEKQCVOOLT-UHFFFAOYSA-N
Smiles CCCCCCCCC1CCCCC1
InChI
InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28
Molecular Weight 196.22
AlogP 5.32
Number of Rotational Bond 7.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1795-15-9
NORMAN SUSDAT
FDA SRS WN5PG18MPD
PubChem 15712
ChemSpider 14941.0