(10E,12Z)-octadeca-10,12-dienoic acid

Synonyms :
10-TRANS-12-CIS-OCTADECADIENOIC ACID, 10E,12Z-octadecadienoic acid, 10E,Z12-CLA

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.

Lineolic acids and derivatives

Organic compounds

Lipids and lipid-like molecules

Lineolic acids and derivatives

Chemical Name

10-TRANS-12-CIS-OCTADECADIENOIC ACID

Calculated Property

kind Value Source
logP 7.1 ALOGPS
logS -6.3 ALOGPS
Water Solubility 1.49e-04 g/l ALOGPS
logP 6.42 ChemAxon
IUPAC Name (10E,12Z)-octadeca-10,12-dienoic acid ChemAxon
Traditional IUPAC Name 10E,12Z-octadecadienoic acid ChemAxon
Molecular Weight 280.4455 ChemAxon
Monoisotopic Weight 280.240230268 ChemAxon
SMILES CCCCCC=C/C=C/CCCCCCCCC(O)=O ChemAxon
Molecular Formula C18H32O2 ChemAxon
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+ ChemAxon
InChIKey InChIKey=GKJZMAHZJGSBKD-NMMTYZSQSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 88.52 ChemAxon
Polarizability 36.57 ChemAxon
Rotatable Bond Count 14 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 5.02 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Putative aminooxidase : in Propionibacterium acnes (strain KPA171202 / DSM 16379)