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

Structure

InChI Key PHWISBHSBNDZDX-UHFFFAOYSA-N
Smiles CC(CCC=C(C)C)C1CCC(=C)C=C1
InChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.89
Number of Rotational Bond 4.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 20307-83-9
NORMAN SUSDAT