Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S27IJL8RH3
EPA CompTox DTXSID2035308

Structure

InChI Key QTGIYXFCSKXKMO-XPSMFNQNSA-N
Smiles CCCCCCCCC=C/[C@H]1CCC(=O)O1
InChI
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h9-10,13H,2-8,11-12H2,1H3/b10-9-/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O2
Molecular Weight 224.18
AlogP 4.0
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 64726-91-6
NORMAN SUSDAT
FDA SRS S27IJL8RH3
PubChem 6435920
ChemSpider 4940605.0