1.0 2016-09-30 22:48:21 UTC 2020-04-22 15:08:55 UTC BMDB0001864 BMDB01864 2-Ketohexanoic acid 2-Keto-N-caproic acid 2-oxo 6:0 2-oxo C6:0 2-Oxohexanoate alpha-Ketocaproic acid alpha-Ketohexanoic acid 2-Keto-N-caproate 2-Oxohexanoic acid a-Ketocaproate a-Ketocaproic acid alpha-Ketocaproate Α-ketocaproate Α-ketocaproic acid a-Ketohexanoate a-Ketohexanoic acid alpha-Ketohexanoate Α-ketohexanoate Α-ketohexanoic acid 2-Ketohexanoate 2-Ketocaproate alpha-Ketocaproic acid, sodium salt 2-Ketocaproic acid 2-oxo-Hexanoate 2-oxo-Hexanoic acid 2-Ketohexanoic acid C6H10O3 130.1418 130.062994186 2-oxohexanoic acid 2-oxohexanoic acid 2492-75-3 CCCCC(=O)C(O)=O InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) XNIHZNNZJHYHLC-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Medium-chain keto acids and derivatives Alpha-hydroxy ketones Alpha-keto acids and derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds 2-oxo monocarboxylic acid Oxo fatty acids Oxo fatty acids medium-chain fatty acid oxo fatty acid straight-chain fatty acid Solid logp 0.94 ALOGPS logs -1.21 ALOGPS logp 1.66 ChemAxon pka_strongest_acidic 3.53 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac 2-oxohexanoic acid ChemAxon average_mass 130.1418 ChemAxon mono_mass 130.062994186 ChemAxon smiles CCCCC(=O)C(O)=O ChemAxon formula C6H10O3 ChemAxon inchi InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) ChemAxon inchikey XNIHZNNZJHYHLC-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 31.82 ChemAxon polarizability 13.19 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 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 1396 Specdb::MsIr 1397 Specdb::MsIr 1398 Specdb::NmrOneD 1765 Specdb::NmrOneD 9742 Specdb::NmrOneD 9743 Specdb::NmrOneD 9744 Specdb::NmrOneD 9745 Specdb::NmrOneD 9746 Specdb::NmrOneD 9747 Specdb::NmrOneD 9748 Specdb::NmrOneD 9749 Specdb::NmrOneD 9750 Specdb::NmrOneD 9751 Specdb::NmrOneD 9752 Specdb::NmrOneD 9753 Specdb::NmrOneD 9754 Specdb::NmrOneD 9755 Specdb::NmrOneD 9756 Specdb::NmrOneD 9757 Specdb::NmrOneD 9758 Specdb::NmrOneD 9759 Specdb::NmrOneD 9760 Specdb::NmrOneD 9761 Specdb::CMs 22081 Specdb::CMs 31981 Specdb::CMs 38153 Specdb::CMs 99714 Specdb::CMs 164123 Specdb::NmrTwoD 1705 Specdb::MsMs 1744 Specdb::MsMs 1745 Specdb::MsMs 1746 Specdb::MsMs 315028 Specdb::MsMs 315029 Specdb::MsMs 315030 Specdb::MsMs 360898 Specdb::MsMs 360899 Specdb::MsMs 360900 Specdb::MsMs 2330112 Specdb::MsMs 2330113 Specdb::MsMs 2330114 Specdb::MsMs 2635510 Specdb::MsMs 2635511 Specdb::MsMs 2635512 FDB022718 140384 C00902 159664 17308 4144 Igarashi, Minoru; Midorikawa, Hiroshi. Synthesis of a-oxo acids from diethyl alkylidenemalonates. Journal of Organic Chemistry (1964), 29(7), 2080-2.