Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W9EU3YKG7L
EPA CompTox DTXSID80867299

Structure

InChI Key KLSKYUJILONZTN-UHFFFAOYSA-N
Smiles CC1CCC(COC(C)=O)C(C)C1
InChI
InChI=1S/C11H20O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h8-9,11H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O2
Molecular Weight 184.15
AlogP 2.62
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 67634-22-4
NORMAN SUSDAT
FDA SRS W9EU3YKG7L
PubChem 106746
ChemSpider 96078.0