Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7X5R5EE4ST
EPA CompTox DTXSID8061973

Structure

InChI Key STWFZICHPLEOIC-UHFFFAOYSA-N
Smiles CCCCCCCCCCC1CCCCC1
InChI
InChI=1S/C16H32/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h16H,2-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32
Molecular Weight 224.25
AlogP 6.1
Number of Rotational Bond 9.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 1795-16-0
NORMAN SUSDAT
FDA SRS 7X5R5EE4ST
PubChem 15713
ChemSpider 14942.0