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

Structure

InChI Key KWFJIXPIFLVMPM-UHFFFAOYSA-N
Smiles CC(=CCCC1(C2CC3C1(C3C2)C)C)C;CC(C)=CCCC1(C)C2CC3C(C2)C13C
InChI
InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.42
Number of Rotational Bond 3.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 512-61-8
NORMAN SUSDAT