Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10867287

Structure

InChI Key NFJHOPJJPMLCRF-UHFFFAOYSA-N
Smiles CCOC(OCC)C1CC2CC1C3C=CCC23
InChI
InChI=1S/C15H24O2/c1-3-16-15(17-4-2)14-9-10-8-13(14)12-7-5-6-11(10)12/h5,7,10-15H,3-4,6,8-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O2
Molecular Weight 236.18
AlogP 3.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 67633-92-5
NORMAN SUSDAT
PubChem 106725
ChemSpider 96059.0