Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID601004007

Structure

InChI Key QYIMRQXWCAWAMM-UHFFFAOYSA-N
Smiles O=C(OCC)C1(C(=O)C)CC=C(C)CC1CCC
InChI
InChI=1/C15H24O3/c1-5-7-13-10-11(3)8-9-15(13,12(4)16)14(17)18-6-2/h8,13H,5-7,9-10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O3
Molecular Weight 252.17
AlogP 3.28
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 43.37
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 83878-03-9
NORMAN SUSDAT
PubChem 3019437