Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70868311

Structure

InChI Key HCRHVSPDKOSFIT-UHFFFAOYSA-N
Smiles CC1CC2C(C(CC=C(C)C)C1=O)C2(C)C
InChI
InChI=1S/C15H24O/c1-9(2)6-7-11-13-12(15(13,4)5)8-10(3)14(11)16/h6,10-13H,7-8H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O1
Molecular Weight 220.18
AlogP 3.84
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 74499-58-4
NORMAN SUSDAT
PubChem 173288
ChemSpider 151294.0