Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RFR322M42W
EPA CompTox DTXSID60863552

Structure

InChI Key FAMJUFMHYAFYNU-UHFFFAOYSA-N
Smiles CC(C)C1CCC(=CC1)C
InChI
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18
Molecular Weight 138.14
AlogP 3.39
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5502-88-5
NORMAN SUSDAT
FDA SRS RFR322M42W
PubChem 21671
ChemSpider 20367.0