1.0 2010-04-08 22:08:53 UTC 2025-11-18 23:18:13 UTC FDB009959 3-Octenoic acid 3-octenoic acid, also known as 3-octenoate, 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. 3-octenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-octenoic acid is a fatty and oily tasting compound found in burdock, which makes 3-octenoic acid a potential biomarker for the consumption of this food product. (3E)-3-octenoic acid (E)-Oct-3-enoic acid 3e-octenoic Acid trans-3-octenoic acid C8H14O2 142.1956 142.099379692 oct-3-enoic acid oct-3-enoic acid 1577-19-1 CCCCC=CCC(O)=O InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10) IWPOSDLLFZKGOW-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 2.73 ALOGPS logs -2.16 ALOGPS solubility 9.78e-01 g/l ALOGPS logp 2.34 ChemAxon pka_strongest_acidic 5.05 ChemAxon iupac oct-3-enoic acid ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCCCC=CCC(O)=O ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10) ChemAxon inchikey IWPOSDLLFZKGOW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 41.39 ChemAxon polarizability 16.74 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1089894 Specdb::MsMs 1229725 Specdb::MsMs 1229726 Specdb::MsMs 1229727 Specdb::MsMs 1345279 Specdb::MsMs 1345280 Specdb::MsMs 1345281 Burdock Type 1 specific Arctium lappa 4217 fatty oily