Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00959448

Structure

InChI Key ODMBLKQTVUQJFT-UHFFFAOYSA-N
Smiles O=C(OCCC(C)CCC=C(C)C)C(=C)C
InChI
InChI=1/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,13H,3,6,8-10H2,1-2,4-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O2
Molecular Weight 224.18
AlogP 3.88
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 38582-32-0
NORMAN SUSDAT
PubChem 16205108