1.0 2016-09-30 22:50:05 UTC 2020-04-22 15:09:26 UTC BMDB0002025 BMDB02025 2,3-Dimethyl-3-hydroxyglutaric acid 2,3-Dimethyl-3-hydroxyglutarate 2,3-Dimethyl-3-hydroxy-glutarate C7H12O5 176.1672 176.068473494 3-hydroxy-2,3-dimethylpentanedioic acid 3-hydroxy-2,3-dimethylpentanedioic acid 87764-48-5 CC(C(O)=O)C(C)(O)CC(O)=O InChI=1S/C7H12O5/c1-4(6(10)11)7(2,12)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) CCFYMOIEFAALDH-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 Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl-branched fatty acids Organic oxides Short-chain hydroxy acids and derivatives Tertiary alcohols Alcohol Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy fatty acid Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound Short-chain hydroxy acid Tertiary alcohol Aliphatic acyclic compounds Dicarboxylic acids Solid logp -0.23 ALOGPS logs 0.10 ALOGPS logp -0.21 ChemAxon pka_strongest_acidic 3.79 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-hydroxy-2,3-dimethylpentanedioic acid ChemAxon average_mass 176.1672 ChemAxon mono_mass 176.068473494 ChemAxon smiles CC(C(O)=O)C(C)(O)CC(O)=O ChemAxon formula C7H12O5 ChemAxon inchi InChI=1S/C7H12O5/c1-4(6(10)11)7(2,12)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11) ChemAxon inchikey CCFYMOIEFAALDH-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 38.71 ChemAxon polarizability 16.45 ChemAxon rotatable_bond_count 4 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::MsMs 300010 Specdb::MsMs 300011 Specdb::MsMs 300012 Specdb::MsMs 342181 Specdb::MsMs 342182 Specdb::MsMs 342183 Specdb::MsMs 2696613 Specdb::MsMs 2696614 Specdb::MsMs 2696615 Specdb::MsMs 2982764 Specdb::MsMs 2982765 Specdb::MsMs 2982766 Specdb::NmrOneD 102978 Specdb::NmrOneD 102979 Specdb::NmrOneD 102980 Specdb::NmrOneD 102981 Specdb::NmrOneD 102982 Specdb::NmrOneD 102983 Specdb::NmrOneD 102984 Specdb::NmrOneD 102985 Specdb::NmrOneD 102986 Specdb::NmrOneD 102987 Specdb::NmrOneD 102988 Specdb::NmrOneD 102989 Specdb::NmrOneD 102990 Specdb::NmrOneD 102991 Specdb::NmrOneD 102992 Specdb::NmrOneD 102993 Specdb::NmrOneD 102994 Specdb::NmrOneD 102995 Specdb::NmrOneD 102996 Specdb::NmrOneD 102997 Specdb::CMs 15340 Specdb::CMs 38230 Specdb::CMs 166176 FDB022803 21252268 13628288 6446