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

Structure

InChI Key WRHGORWNJGOVQY-RBSFLKMASA-N
Smiles CC(C)[C@H]1CCC(=C)[C@H]2CCC(=C[C@H]12)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.58
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 39029-41-9
NORMAN SUSDAT