Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X99PZQ69Y6
EPA CompTox DTXSID80173483

Structure

InChI Key QDOYJBSJTHIWKH-UHFFFAOYSA-N
Smiles CCCCCCC(=C)CCCCCC
InChI
InChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h3-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28
Molecular Weight 196.22
AlogP 5.48
Number of Rotational Bond 10.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 19780-80-4
NORMAN SUSDAT
FDA SRS X99PZQ69Y6
PubChem 140594
ChemSpider 124000.0