1.0 2010-04-08 22:14:22 UTC 2015-07-21 06:36:09 UTC FDB019470 2,4-Dimethyl-2-pentenoic acid Flavouring ingredient 2-Pentenoic acid, 2,4-dimethyl- FEMA 3143 C7H12O2 128.169 128.083729628 (2E)-2,4-dimethylpent-2-enoic acid (2E)-2,4-dimethylpent-2-enoic acid 66634-97-7 CC(C)\C=C(/C)C(O)=O InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+ DMHLGGQHOSTMJG-GQCTYLIASA-N belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methyl-branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid logp 1.86 ALOGPS logs -1.30 ALOGPS solubility 6.49e+00 g/l ALOGPS logp 2.05 ChemAxon pka_strongest_acidic 5.13 ChemAxon iupac (2E)-2,4-dimethylpent-2-enoic acid ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CC(C)\C=C(/C)C(O)=O ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+ ChemAxon inchikey DMHLGGQHOSTMJG-GQCTYLIASA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 36.47 ChemAxon polarizability 14.13 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8358 Specdb::MsIr 8359 Specdb::MsIr 8360 Specdb::MsMs 44574 Specdb::MsMs 44575 Specdb::MsMs 44576 Specdb::MsMs 139896 Specdb::MsMs 139897 Specdb::MsMs 139898 Specdb::MsMs 2346221 Specdb::MsMs 2346222 Specdb::MsMs 2346223 Specdb::MsMs 2592817 Specdb::MsMs 2592818 Specdb::MsMs 2592819 Specdb::CMs 19225 Specdb::CMs 46583 Specdb::CMs 171297 Specdb::NmrOneD 36182 Specdb::NmrOneD 36183 Specdb::NmrOneD 36184 Specdb::NmrOneD 36185 Specdb::NmrOneD 36186 Specdb::NmrOneD 36187 Specdb::NmrOneD 36188 Specdb::NmrOneD 36189 Specdb::NmrOneD 36190 Specdb::NmrOneD 36191 Specdb::NmrOneD 36192 Specdb::NmrOneD 36193 Specdb::NmrOneD 36194 Specdb::NmrOneD 36195 Specdb::NmrOneD 36196 Specdb::NmrOneD 36197 Specdb::NmrOneD 36198 Specdb::NmrOneD 36199 Specdb::NmrOneD 36200 Specdb::NmrOneD 36201 HMDB39819 #<Reference:0x000055ce31ee3b30> acidic cheese fruity honey