1.0 2016-09-30 23:14:21 UTC 2020-04-22 15:15:01 UTC BMDB0004982 BMDB04982 cis-4-Octenedioic acid cis-4-Octenedioate (Z)-4-Octene-1,8-dioate (Z)-4-Octene-1,8-dioic acid cis-4-Octene-1,8-dioate cis-4-Octene-1,8-dioic acid C8H12O4 172.1785 172.073558872 (4Z)-oct-4-enedioic acid cis-4-octenedioic acid 38561-68-1 OC(=O)CC\C=C/CCC(O)=O InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1- LQVYKEXVMZXOAH-UPHRSURJSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Medium-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Aliphatic acyclic compounds Dicarboxylic acids Solid melting_point 96 - 98 °C logp 0.96 ALOGPS logs -1.74 ALOGPS logp 1.02 ChemAxon pka_strongest_acidic 4.08 ChemAxon iupac (4Z)-oct-4-enedioic acid ChemAxon average_mass 172.1785 ChemAxon mono_mass 172.073558872 ChemAxon smiles OC(=O)CC\C=C/CCC(O)=O ChemAxon formula C8H12O4 ChemAxon inchi InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1- ChemAxon inchikey LQVYKEXVMZXOAH-UPHRSURJSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 43.06 ChemAxon polarizability 17.2 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2262 Specdb::MsIr 2263 Specdb::MsIr 2264 Specdb::CMs 9567 Specdb::CMs 38825 Specdb::CMs 132989 Specdb::CMs 140723 Specdb::NmrTwoD 1944 Specdb::NmrOneD 2009 Specdb::NmrOneD 54742 Specdb::NmrOneD 54743 Specdb::NmrOneD 54744 Specdb::NmrOneD 54745 Specdb::NmrOneD 54746 Specdb::NmrOneD 54747 Specdb::NmrOneD 54748 Specdb::NmrOneD 54749 Specdb::NmrOneD 54750 Specdb::NmrOneD 54751 Specdb::NmrOneD 54752 Specdb::NmrOneD 54753 Specdb::NmrOneD 54754 Specdb::NmrOneD 54755 Specdb::NmrOneD 54756 Specdb::NmrOneD 54757 Specdb::NmrOneD 54758 Specdb::NmrOneD 54759 Specdb::NmrOneD 54760 Specdb::NmrOneD 54761 Specdb::MsMs 2418 Specdb::MsMs 2419 Specdb::MsMs 2420 Specdb::MsMs 287125 Specdb::MsMs 287126 Specdb::MsMs 287127 Specdb::MsMs 325891 Specdb::MsMs 325892 Specdb::MsMs 325893 Specdb::MsMs 2720919 Specdb::MsMs 2720920 Specdb::MsMs 2720921 Specdb::MsMs 2958399 Specdb::MsMs 2958400 Specdb::MsMs 2958401 9979870 FDB023569 11805205 7235 Barco, A.; Benetti, S.; Pollini, G. P.; Taddia, R. Synthesis of cis-4-octene-1,8-dioic acid and its esters. Organic Preparations and Procedures International (1974), 6(5), 217-20.