Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00975244

Structure

InChI Key DGADRHUEAJVDQN-UHFFFAOYSA-N
Smiles O1CCC(=CC1CC(C)C)C
InChI
InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h7-8,10H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.14
AlogP 2.77
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 59848-65-6
NORMAN SUSDAT
PubChem 108398