Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key SBLFXQDQYURKCC-UHFFFAOYSA-N
Smiles CCCCCCCCCCC1=C2CCC(C1)C2
InChI
InChI=1S/C17H30/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15/h15H,2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H30
Molecular Weight 234.23
AlogP 6.02
Number of Rotational Bond 9.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 134864-19-0
NORMAN SUSDAT
PubChem 22726333
ChemSpider 11599773.0