Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BNS1DVW87A
EPA CompTox DTXSID7063398

Structure

InChI Key QHWAQXOSHHKCFK-UHFFFAOYSA-N
Smiles CCCCCCC1CCCCC1
InChI
InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24
Molecular Weight 168.19
AlogP 4.54
Number of Rotational Bond 5.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 4292-75-5
NORMAN SUSDAT
FDA SRS BNS1DVW87A
PubChem 20283
ChemSpider 19109.0