1.0 2020-03-10 17:00:12 UTC 2020-04-22 18:55:41 UTC BMDB0096039 BMDB96039 Alpha-Ketooctanoic acid 2-Keto-N-caprylic acid 2-oxo-Octanoic acid 2-Oxocaprylic acid 2-Keto-N-caprylate 2-oxo-Octanoate 2-Oxocaprylate a-Ketooctanoate a-Ketooctanoic acid alpha-Ketooctanoate Α-ketooctanoate Α-ketooctanoic acid 2-Oxooctanoate 2-Oxooctanoic acid alpha-KETOCAPRYLATE alpha-KETOCAPRYLIC ACID C8H14O3 158.195 158.094294314 2-oxooctanoic acid 2-keto-n-caprylic acid 328-51-8 CCCCCCC(=O)C(O)=O InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11) GPPUPQFYDYLTIY-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 Oxo fatty acids logp 2.17 ALOGPS logs -2.23 ALOGPS logp 2.54 ChemAxon pka_strongest_acidic 3.74 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac 2-oxooctanoic acid ChemAxon average_mass 158.195 ChemAxon mono_mass 158.094294314 ChemAxon smiles CCCCCCC(=O)C(O)=O ChemAxon formula C8H14O3 ChemAxon inchi InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11) ChemAxon inchikey GPPUPQFYDYLTIY-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 41.02 ChemAxon polarizability 17.35 ChemAxon rotatable_bond_count 6 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 2868 Specdb::MsIr 2869 Specdb::MsIr 2870 Specdb::MsMs 308869 Specdb::MsMs 308870 Specdb::MsMs 308871 Specdb::MsMs 353164 Specdb::MsMs 353165 Specdb::MsMs 353166 Specdb::MsMs 2442016 Specdb::MsMs 2442017 Specdb::MsMs 2442018 Specdb::MsMs 2520269 Specdb::MsMs 2520270 Specdb::MsMs 2520271 Specdb::CMs 19295 Specdb::CMs 40085 Specdb::CMs 132101 Specdb::CMs 139835 FDB029336 60921 67600 173668