12-Bromododecanoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Medium-chain fatty acids

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty acids and conjugates

Calculated Property

kind Value Source
logP 5.56 ALOGPS
logS -5.3 ALOGPS
Water Solubility 1.38e-03 g/l ALOGPS
logP 4.58 ChemAxon
IUPAC Name 12-bromododecanoic acid ChemAxon
Traditional IUPAC Name 12-bromododecanoic acid ChemAxon
Molecular Weight 279.214 ChemAxon
Monoisotopic Weight 278.088142627 ChemAxon
SMILES OC(=O)CCCCCCCCCCCBr ChemAxon
Molecular Formula C12H23BrO2 ChemAxon
InChI InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15) ChemAxon
InChIKey InChIKey=YYKBWYBUCFHYPR-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 66.64 ChemAxon
Polarizability 29.3 ChemAxon
Rotatable Bond Count 11 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 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glycodelin : in Human