Ricinoleic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.

Hydroxy fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP 6.14 ALOGPS
logS -5.1 ALOGPS
Water Solubility 2.54e-03 g/l ALOGPS
logP 5.4 ChemAxon
IUPAC Name (9E,12S)-12-hydroxyoctadec-9-enoic acid ChemAxon
Traditional IUPAC Name ricinoleic acid ChemAxon
Molecular Weight 298.4608 ChemAxon
Monoisotopic Weight 298.250794954 ChemAxon
SMILES CCCCCC[C@H](O)CC=CCCCCCCCC(O)=O ChemAxon
Molecular Formula C18H34O3 ChemAxon
InChI InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m0/s1 ChemAxon
InChIKey InChIKey=WBHHMMIMDMUBKC-KQPPXVQYSA-N ChemAxon
Polar Surface Area (PSA) 57.53 ChemAxon
Refractivity 89.07 ChemAxon
Polarizability 38.38 ChemAxon
Rotatable Bond Count 15 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.99 ChemAxon
pKa (strongest basic) -1.3 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon