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

Structure

InChI Key HAVYZKHVTLAPDZ-PRUKLFJYSA-N
Smiles C/C1=C/CC(C)(C)C=CCC(=C)CCC1
InChI
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6-,14-10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 5.04
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 116-04-1
NORMAN SUSDAT