1.0 2011-09-21 00:06:56 UTC 2018-05-28 18:30:46 UTC FDB022010 2-Octenoic acid 2-Octenoic acid is a normal organic acid produced by hepatic microsomal oxidation of aliphatic aldehydes and is a metabolite naturally found in the urine and plasma. (PMID 1883862, 8087979, 4086594, 1417834, 6480773) [HMDB] 2-Octenic acid 2-Octenoate 2-octenoic acid 2Z-octenoate 2Z-octenoic acid Oct-2-enoate Oct-2-enoic acid C8H14O2 142.1956 142.099379692 (2Z)-oct-2-enoic acid cis-2-octenoic acid 1577-96-4 CCCCC\C=C\C(O)=O InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+ CWMPPVPFLSZGCY-VOTSOKGWSA-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 Unsaturated fatty acids Liquid logp 3.01 ALOGPS logs -2.28 ALOGPS solubility 7.44e-01 g/l ALOGPS logp 2.7 ChemAxon pka_strongest_acidic 5.25 ChemAxon iupac (2Z)-oct-2-enoic acid ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCCCC\C=C\C(O)=O ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+ ChemAxon inchikey CWMPPVPFLSZGCY-VOTSOKGWSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 41.37 ChemAxon polarizability 16.19 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1352 Specdb::NmrTwoD 1294 Specdb::MsIr 463 Specdb::MsIr 464 Specdb::MsIr 465 Specdb::CMs 14526 Specdb::CMs 37492 Specdb::CMs 102627 Specdb::CMs 102628 Specdb::CMs 156095 Specdb::CMs 1060336 Specdb::MsMs 597 Specdb::MsMs 598 Specdb::MsMs 599 Specdb::MsMs 298072 Specdb::MsMs 298073 Specdb::MsMs 298074 Specdb::MsMs 339766 Specdb::MsMs 339767 Specdb::MsMs 339768 Specdb::MsMs 2403332 Specdb::MsMs 2403333 Specdb::MsMs 2403334 Specdb::MsMs 2535278 Specdb::MsMs 2535279 Specdb::MsMs 2535280 HMDB00392 #<Reference:0x000055ce3352b730> #<Reference:0x000055ce3352b578> #<Reference:0x000055ce3352b3c0> #<Reference:0x000055ce3352b208> #<Reference:0x000055ce3352b050>