1.0 2010-04-08 22:10:54 UTC 2025-11-19 00:35:06 UTC FDB013771 (E)-2,6-Dimethyl-2,5-heptadienoic acid Constituent of Passiflora quadrangularis (giant grandilla). (E)-2,6-Dimethyl-2,5-heptadienoic acid is found in fruits. (2E)-2,6-Dimethyl-2,5-heptadienoic acid C9H14O2 154.2063 154.099379692 (2E)-2,6-dimethylhepta-2,5-dienoic acid (2E)-2,6-dimethylhepta-2,5-dienoic acid 261949-42-2 CC(C)=CC\C=C(/C)C(O)=O InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+ IGQGIACCENRGLM-SOFGYWHQSA-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 Unsaturated fatty acids 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 Unsaturated fatty acid logp 2.17 ALOGPS logs -1.83 ALOGPS solubility 2.29e+00 g/l ALOGPS logp 2.53 ChemAxon pka_strongest_acidic 5.16 ChemAxon iupac (2E)-2,6-dimethylhepta-2,5-dienoic acid ChemAxon average_mass 154.2063 ChemAxon mono_mass 154.099379692 ChemAxon smiles CC(C)=CC\C=C(/C)C(O)=O ChemAxon formula C9H14O2 ChemAxon inchi InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+ ChemAxon inchikey IGQGIACCENRGLM-SOFGYWHQSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 46.52 ChemAxon polarizability 17.34 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20695 Specdb::CMs 44213 Specdb::CMs 157065 Specdb::MsIr 6814 Specdb::MsIr 6815 Specdb::MsIr 6816 Specdb::NmrOneD 130098 Specdb::NmrOneD 130099 Specdb::NmrOneD 130100 Specdb::NmrOneD 130101 Specdb::NmrOneD 130102 Specdb::NmrOneD 130103 Specdb::NmrOneD 130104 Specdb::NmrOneD 130105 Specdb::NmrOneD 130106 Specdb::NmrOneD 130107 Specdb::NmrOneD 130108 Specdb::NmrOneD 130109 Specdb::NmrOneD 130110 Specdb::NmrOneD 130111 Specdb::NmrOneD 130112 Specdb::NmrOneD 130113 Specdb::NmrOneD 130114 Specdb::NmrOneD 130115 Specdb::NmrOneD 130116 Specdb::NmrOneD 130117 Specdb::MsMs 68727 Specdb::MsMs 68728 Specdb::MsMs 68729 Specdb::MsMs 126831 Specdb::MsMs 126832 Specdb::MsMs 126833 Specdb::MsMs 2301174 Specdb::MsMs 2301175 Specdb::MsMs 2301176 Specdb::MsMs 3065075 Specdb::MsMs 3065076 Specdb::MsMs 3065077 HMDB35135 #<Reference:0x000055ce32a83198> Fruits Unknown generic