(11E)-OCTADEC-11-ENOIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Long-chain fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP 7.67 ALOGPS
logS -6.4 ALOGPS
Water Solubility 1.23e-04 g/l ALOGPS
logP 6.78 ChemAxon
IUPAC Name (11Z)-octadec-11-enoic acid ChemAxon
Traditional IUPAC Name cis-vaccenic acid ChemAxon
Molecular Weight 282.4614 ChemAxon
Monoisotopic Weight 282.255880332 ChemAxon
SMILES CCCCCCC=C/CCCCCCCCCC(O)=O ChemAxon
Molecular Formula C18H34O2 ChemAxon
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7- ChemAxon
InChIKey InChIKey=UWHZIFQPPBDJPM-FPLPWBNLSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 87.4 ChemAxon
Polarizability 37.1 ChemAxon
Rotatable Bond Count 15 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 4.95 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

  • Peroxisome proliferator-activated receptor delta : in Human