1.0 2010-04-08 22:06:52 UTC 2025-11-18 23:00:12 UTC FDB005838 Hexadecadienoic acid Hexadecadienoic acid, also known as hexadecadienoate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Hexadecadienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexadecadienoic acid can be found in black walnut and dandelion, which makes hexadecadienoic acid a potential biomarker for the consumption of these food products. C16H28O2 252.398 252.208930142 hexadeca-2,4-dienoic acid hexadeca-2,4-dienoic acid CCCCCCCCCCCC=CC=CC(O)=O InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18) OOJGMLFHAQOYIL-UHFFFAOYSA-N 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 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 Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid logp 6.89 ALOGPS logs -5.88 ALOGPS solubility 3.36e-04 g/l ALOGPS logp 5.89 ChemAxon pka_strongest_acidic 4.94 ChemAxon iupac hexadeca-2,4-dienoic acid ChemAxon average_mass 252.398 ChemAxon mono_mass 252.208930142 ChemAxon smiles CCCCCCCCCCCC=CC=CC(O)=O ChemAxon formula C16H28O2 ChemAxon inchi InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h12-15H,2-11H2,1H3,(H,17,18) ChemAxon inchikey OOJGMLFHAQOYIL-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 79.29 ChemAxon polarizability 32.65 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62472 Specdb::MsMs 62473 Specdb::MsMs 62474 Specdb::MsMs 119208 Specdb::MsMs 119209 Specdb::MsMs 119210 Specdb::MsMs 3602174 Specdb::MsMs 3602175 Specdb::MsMs 3602176 Specdb::MsMs 3602177 Specdb::MsMs 3602178 Specdb::MsMs 3602179 Black walnut Type 1 specific Juglans nigra 16719 Dandelion Type 1 specific Taraxacum officinale 50225