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

Structure

InChI Key YOVSPTNQHMDJAG-QLFBSQMISA-N
Smiles CC(=C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2C1)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.73
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 17066-67-0
NORMAN SUSDAT
PubChem 442393
ChemSpider 390838.0