Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20162538

Structure

InChI Key OQJMHUOCLRCSED-UHFFFAOYSA-N
Smiles CC1(C)CC(=O)CC(C)(C)C1
InChI
InChI=1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O1
Molecular Weight 154.14
AlogP 2.79
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 14376-79-5
NORMAN SUSDAT
PubChem 84399
ChemSpider 76135.0