Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60234107

Structure

InChI Key DJAYTQZJAJXFDU-XVIXHAIJSA-N
Smiles CC1CCC2C1C1C(CC=C2C)C1(C)C
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3/t10-,11+,12-,13+,14+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.27
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 85048-01-7
NORMAN SUSDAT
PubChem 21595261
ChemSpider 21164559.0