1.0 2016-09-30 22:33:26 UTC 2020-04-21 18:16:48 UTC BMDB0000603 BMDB00603 Decenedioic acid Decenedioate 2E-Decenedioate C10H16O4 200.234 200.104858995 (2E)-dec-2-enedioic acid decenedioic acid [H]\C(CCCCCCC(O)=O)=C(\[H])C(O)=O InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H,1-4,6,8H2,(H,11,12)(H,13,14)/b7-5+ XUNMWLWTZWWEIE-FNORWQNLSA-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 logp 2.08 ALOGPS logs -2.40 ALOGPS logp 2.27 ChemAxon pka_strongest_acidic 4.72 ChemAxon iupac (2E)-dec-2-enedioic acid ChemAxon average_mass 200.234 ChemAxon mono_mass 200.104858995 ChemAxon smiles [H]\C(CCCCCCC(O)=O)=C(\[H])C(O)=O ChemAxon formula C10H16O4 ChemAxon inchi InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h5,7H,1-4,6,8H2,(H,11,12)(H,13,14)/b7-5+ ChemAxon inchikey XUNMWLWTZWWEIE-FNORWQNLSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 52.24 ChemAxon polarizability 21.98 ChemAxon rotatable_bond_count 8 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::MsMs 1327315 Specdb::MsMs 1327316 Specdb::MsMs 1327317 Specdb::MsMs 1441654 Specdb::MsMs 1441655 Specdb::MsMs 1441656 6442613 Pourfarzam, Morteza; Bartlett, Kim. Synthesis, characterization and high-performance liquid chromatography of C6-C16 dicarboxylyl-mono-coenzyme A and -mono-carnitine esters. Journal of Chromatography (1991), 570(2), 253-76.