12-Hydroxydodecanoic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.

Medium-chain hydroxy acids and derivatives

Organic compounds

Organic acids and derivatives

Hydroxy acids and derivatives

Medium-chain hydroxy acids and derivatives

Calculated Property

kind Value Source
logP 3.5 ALOGPS
logS -3 ALOGPS
Water Solubility 2.14e-01 g/l ALOGPS
logP 3.04 ChemAxon
IUPAC Name 12-hydroxydodecanoic acid ChemAxon
Traditional IUPAC Name 12-hydroxydodecanoic acid ChemAxon
Molecular Weight 216.3172 ChemAxon
Monoisotopic Weight 216.172544634 ChemAxon
SMILES OCCCCCCCCCCCC(O)=O ChemAxon
Molecular Formula C12H24O3 ChemAxon
InChI InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ChemAxon
InChIKey InChIKey=ZDHCZVWCTKTBRY-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 57.53 ChemAxon
Refractivity 60.61 ChemAxon
Polarizability 26.85 ChemAxon
Rotatable Bond Count 11 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 4.95 ChemAxon
pKa (strongest basic) -2 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

  • Alcohol dehydrogenase class-3 : in Human