1.0 2010-04-08 22:05:16 UTC 2019-11-26 02:57:07 UTC FDB002174 xi-2-Ethylheptanoic acid Constituent of starfruit (Averrhoa carambola). xi-2-Ethylheptanoic acid is found in fruits. C9H18O2 158.238 158.13067982 2-ethylheptanoic acid 2-ethylheptanoic acid CCCCCC(CC)C(O)=O InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11) DYWSVUBJGFTOQC-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 logp 3.04 ALOGPS logs -2.43 ALOGPS solubility 5.94e-01 g/l ALOGPS logp 3.24 ChemAxon pka_strongest_acidic 5.18 ChemAxon iupac 2-ethylheptanoic acid ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCCCC(CC)C(O)=O ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11) ChemAxon inchikey DYWSVUBJGFTOQC-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 44.85 ChemAxon polarizability 19.05 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16028 Specdb::CMs 41872 Specdb::CMs 134343 Specdb::CMs 142077 Specdb::MsIr 3867 Specdb::MsIr 3868 Specdb::MsIr 3869 Specdb::MsMs 83475 Specdb::MsMs 83476 Specdb::MsMs 83477 Specdb::MsMs 145074 Specdb::MsMs 145075 Specdb::MsMs 145076 Specdb::MsMs 2738992 Specdb::MsMs 2738993 Specdb::MsMs 2738994 Specdb::MsMs 2969920 Specdb::MsMs 2969921 Specdb::MsMs 2969922 HMDB30331 #<Reference:0x000055ce3050e728> Fruits Unknown generic