Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6MV8XMM426
EPA CompTox DTXSID50880854

Structure

InChI Key SNIFAVVHRQZYGO-UHFFFAOYSA-N
Smiles C(=CCCCCCCCC)CCCC
InChI
InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h9,11H,3-8,10,12-14H2,1-2H3

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 41446-66-6
NORMAN SUSDAT
FDA SRS 6MV8XMM426
PubChem 521035
ChemSpider 4509794.0