Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3V3074NJ3L
EPA CompTox DTXSID001020809

Structure

InChI Key UBDIXSAEHLOROW-UHFFFAOYSA-N
Smiles CCCCCC/C=C/CCCCCC
InChI
InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b14-13+

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 41446-63-3
NORMAN SUSDAT
FDA SRS 3V3074NJ3L
PubChem 25209
ChemSpider 23545.0