1.0 2016-09-30 22:49:37 UTC 2020-04-22 15:09:17 UTC BMDB0001987 BMDB01987 2-Hydroxy-2-methylbutyric acid 2-Hydroxy-2-methylbutyrate (+/-)-2-hydroxy-2-methylbutanoate (+/-)-2-hydroxy-2-methylbutanoic acid (+/-)-2-hydroxy-2-methylbutyric acid (+/-)-a-hydroxy-a-methylbutyric acid (+/-)-alpha-hydroxy-alpha-methylbutyric acid 2-Hydroxy-2-methyl butyrate 2-Hydroxy-2-methyl butyric acid 2-Hydroxy-2-methyl-butanoate 2-Hydroxy-2-methyl-butanoic acid 2-Hydroxy-2-methyl-butyrate 2-Hydroxy-2-methyl-butyric acid 2-Hydroxy-2-methyl-N-butyrate 2-Hydroxy-2-methyl-N-butyric acid 2-Hydroxy-2-methylbutanoate 2-Hydroxy-2-methylbutanoic acid 2-Methyl-2-hydroxybutyric acid a-Hydroxy-a-methyl-butyric acid a-Hydroxy-a-methylbutyric acid alpha-Hydroxy-alpha-methyl-butyric acid alpha-Hydroxy-alpha-methylbutyric acid 2-Hydroxy-2-methylbutyric acid C5H10O3 118.1311 118.062994186 2-hydroxy-2-methylbutanoic acid 2-hydroxy-2-methylbutyric acid 3739-30-8 CCC(C)(O)C(O)=O InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) MBIQENSCDNJOIY-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol Aliphatic acyclic compounds 2-hydroxy fatty acid Hydroxy fatty acids branched-chain fatty acid Solid melting_point 74 °C logp 0.13 ALOGPS logs 0.47 ALOGPS logp 0.48 ChemAxon pka_strongest_acidic 4.1 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxy-2-methylbutanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles CCC(C)(O)C(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7) ChemAxon inchikey MBIQENSCDNJOIY-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 28.08 ChemAxon polarizability 11.73 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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::CMs 20985 Specdb::CMs 38212 Specdb::CMs 168153 Specdb::NmrTwoD 1769 Specdb::MsIr 1511 Specdb::MsIr 1512 Specdb::MsIr 1513 Specdb::MsMs 1926 Specdb::MsMs 1927 Specdb::MsMs 1928 Specdb::MsMs 312715 Specdb::MsMs 312716 Specdb::MsMs 312717 Specdb::MsMs 358036 Specdb::MsMs 358037 Specdb::MsMs 358038 Specdb::MsMs 2226150 Specdb::MsMs 2226155 Specdb::MsMs 2228520 Specdb::MsMs 2231033 Specdb::MsMs 2233146 Specdb::MsMs 2233394 Specdb::MsMs 2235556 Specdb::MsMs 2426887 Specdb::MsMs 2426888 Specdb::MsMs 2426889 Specdb::MsMs 2511822 Specdb::MsMs 2511823 Specdb::MsMs 2511824 Specdb::NmrOneD 1829 FDB022784 86129 95433 68454 C00052118 6416 Young, Wm. G.; Dillon, Robert T.; Lucas, Howard J. Synthesis of the isomeric 2-butenes. Journal of the American Chemical Society (1929), 51 2528-34.