1.0 2016-09-30 22:49:23 UTC 2020-04-22 15:09:13 UTC BMDB0001975 BMDB01975 2-Ethyl-2-Hydroxybutyric acid 2-Ethyl-2-hydroxybutyrate 2-Et-2-hba 2-Ethyl-2-hydroxybutanoate 2-Ethyl-2-hydroxybutanoic acid 2-Ethyl-2-hydroxy-butyrate 2-Ethyl-2-hydroxybutyric acid C6H12O3 132.1577 132.07864425 2-ethyl-2-hydroxybutanoic acid 2-ethyl-2-hydroxybutyric acid 3639-21-2 CCC(O)(CC)C(O)=O InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) LXVSANCQXSSLPA-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 Branched fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives 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 Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol Aliphatic acyclic compounds Hydroxy fatty acids Solid water_solubility 26 mg/mL at 18 °C logp 0.52 ALOGPS logs 0.15 ALOGPS logp 1.01 ChemAxon pka_strongest_acidic 4.21 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 2-ethyl-2-hydroxybutanoic acid ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles CCC(O)(CC)C(O)=O ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) ChemAxon inchikey LXVSANCQXSSLPA-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 32.6 ChemAxon polarizability 13.67 ChemAxon rotatable_bond_count 3 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::MsIr 1502 Specdb::MsIr 1503 Specdb::MsIr 1504 Specdb::CMs 11971 Specdb::CMs 38206 Specdb::CMs 165109 Specdb::NmrTwoD 1767 Specdb::NmrOneD 1827 Specdb::MsMs 1920 Specdb::MsMs 1921 Specdb::MsMs 1922 Specdb::MsMs 292366 Specdb::MsMs 292367 Specdb::MsMs 292368 Specdb::MsMs 332539 Specdb::MsMs 332540 Specdb::MsMs 332541 Specdb::MsMs 2244819 Specdb::MsMs 2245319 Specdb::MsMs 2246911 Specdb::MsMs 2247350 Specdb::MsMs 2251026 Specdb::MsMs 2251365 Specdb::MsMs 2367790 Specdb::MsMs 2367791 Specdb::MsMs 2367792 Specdb::MsMs 2567192 Specdb::MsMs 2567193 Specdb::MsMs 2567194 FDB022773 69629 77199 6411