1.0 2010-04-08 22:06:41 UTC 2025-11-18 22:59:14 UTC FDB005435 Dodecatrienoic acid Dodecatrienoic acid, also known as dodecatrienoate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Dodecatrienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Dodecatrienoic acid can be found in common buckwheat, which makes dodecatrienoic acid a potential biomarker for the consumption of this food product. C12H18O2 194.274 194.13067982 dodeca-2,4,6-trienoic acid dodeca-2,4,6-trienoic acid CCCCCC=CC=CC=CC(O)=O InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-11H,2-5H2,1H3,(H,13,14) QFQUMHBUJBZOBZ-UHFFFAOYSA-N 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 Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid logp 4.57 ALOGPS logs -4.29 ALOGPS solubility 1.00e-02 g/l ALOGPS logp 3.75 ChemAxon pka_strongest_acidic 4.88 ChemAxon iupac dodeca-2,4,6-trienoic acid ChemAxon average_mass 194.274 ChemAxon mono_mass 194.13067982 ChemAxon smiles CCCCCC=CC=CC=CC(O)=O ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-11H,2-5H2,1H3,(H,13,14) ChemAxon inchikey QFQUMHBUJBZOBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 62.01 ChemAxon polarizability 23.61 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1088159 Specdb::MsMs 91359 Specdb::MsMs 91360 Specdb::MsMs 91361 Specdb::MsMs 154731 Specdb::MsMs 154732 Specdb::MsMs 154733 Specdb::MsMs 3601766 Specdb::MsMs 3601767 Specdb::MsMs 3601768 Specdb::MsMs 3601769 Specdb::MsMs 3601770 Specdb::MsMs 3601771 Common buckwheat Type 1 specific Fagopyrum esculentum 3617