1.0 2010-04-08 22:07:58 UTC 2019-11-26 03:02:17 UTC FDB008216 6-Methylheptanoic acid Present in hop oil (Humulus lupulus) as the Me ester. 6-Methylheptanoic acid is found in alcoholic beverages and fats and oils. Isocaprylic acid Isooctanoic acid C8H16O2 144.2114 144.115029756 6-methylheptanoic acid cekanoic C8 acid 929-10-2 CC(C)CCCCC(O)=O InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10) OEOIWYCWCDBOPA-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Branched fatty acids Liquid logp 2.71 ALOGPS logs -2.10 ALOGPS solubility 1.15e+00 g/l ALOGPS melting_point Mp 0° logp 2.54 ChemAxon pka_strongest_acidic 5.19 ChemAxon iupac 6-methylheptanoic acid ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CC(C)CCCCC(O)=O ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10) ChemAxon inchikey OEOIWYCWCDBOPA-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 40.22 ChemAxon polarizability 17.16 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13339 Specdb::CMs 42539 Specdb::CMs 155508 Specdb::MsIr 4682 Specdb::MsIr 4683 Specdb::MsIr 4684 Specdb::MsMs 82329 Specdb::MsMs 82330 Specdb::MsMs 82331 Specdb::MsMs 143655 Specdb::MsMs 143656 Specdb::MsMs 143657 Specdb::MsMs 2294697 Specdb::MsMs 2294698 Specdb::MsMs 2294699 Specdb::MsMs 2640226 Specdb::MsMs 2640227 Specdb::MsMs 2640228 HMDB31588 #<Reference:0x000055ce31e82268> Alcoholic beverages Unknown generic Fats and oils Unknown generic