1.0 2016-09-30 22:30:30 UTC 2020-04-22 15:03:32 UTC BMDB0000424 BMDB00424 2-Hydroxydecanedioic acid 2-Hydroxydecanedioate 2-Hydroxy-decandioate 2-Hydroxy-decandioic acid 2-Hydroxysebacate 2-Hydroxysebacic acid a-Hydroxysebasate a-Hydroxysebasic acid alpha-Hydroxysebasate alpha-Hydroxysebasic acid 2-Hydroxy-decanedioate C10H18O5 218.2469 218.115423686 2-hydroxydecanedioic acid 2-hydroxysebacic acid 103963-71-9 OC(CCCCCCCC(O)=O)C(O)=O InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) LPIOYESQKJFWPQ-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monosaccharides Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds Dicarboxylic acids Solid melting_point 118 - 121 °C logp 0.87 ALOGPS logs -1.95 ALOGPS logp 1.4 ChemAxon pka_strongest_acidic 4.16 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxydecanedioic acid ChemAxon average_mass 218.2469 ChemAxon mono_mass 218.115423686 ChemAxon smiles OC(CCCCCCCC(O)=O)C(O)=O ChemAxon formula C10H18O5 ChemAxon inchi InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15) ChemAxon inchikey LPIOYESQKJFWPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 52.64 ChemAxon polarizability 23.38 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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::NmrTwoD 1308 Specdb::CMs 23586 Specdb::CMs 37523 Specdb::CMs 132763 Specdb::CMs 140497 Specdb::CMs 1061380 Specdb::CMs 1061382 Specdb::CMs 1061384 Specdb::CMs 1061386 Specdb::CMs 1061387 Specdb::CMs 1061389 Specdb::CMs 1061391 Specdb::CMs 1061393 Specdb::CMs 1061395 Specdb::CMs 1061397 Specdb::CMs 1061399 Specdb::CMs 1061401 Specdb::CMs 1061403 Specdb::MsMs 58665 Specdb::MsMs 58666 Specdb::MsMs 58667 Specdb::MsMs 114651 Specdb::MsMs 114652 Specdb::MsMs 114653 Specdb::MsMs 2381213 Specdb::MsMs 2381214 Specdb::MsMs 2381215 Specdb::MsMs 2580672 Specdb::MsMs 2580673 Specdb::MsMs 2580674 Specdb::NmrOneD 1364 Specdb::NmrOneD 143850 Specdb::NmrOneD 143851 Specdb::NmrOneD 143852 Specdb::NmrOneD 143853 Specdb::NmrOneD 143854 Specdb::NmrOneD 143855 Specdb::NmrOneD 143856 Specdb::NmrOneD 143857 Specdb::NmrOneD 143858 Specdb::NmrOneD 143859 Specdb::NmrOneD 143860 Specdb::NmrOneD 143861 Specdb::NmrOneD 143862 Specdb::NmrOneD 143863 Specdb::NmrOneD 143864 Specdb::NmrOneD 143865 Specdb::NmrOneD 143866 Specdb::NmrOneD 143867 Specdb::NmrOneD 143868 Specdb::NmrOneD 143869 FDB022037 113866 89312 128458 C00055623 5413 Chiruta, Chandramouli; Jachak, Santosh; Clive, Derrick L. J. A convenient general method for the synthesis of hydroxy diacids. Tetrahedron Letters (2007), 48(18), 3141-3143.