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

Structure

InChI Key OGLDWXZKYODSOB-JTQLQIEISA-N
Smiles CC(C)[C@@H]1CC=C(C)C=C1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16
Molecular Weight 136.13
AlogP 3.16
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2243-33-6
NORMAN SUSDAT