1.0 2010-04-08 22:05:37 UTC 2019-11-26 02:58:19 UTC FDB003006 Methyl (2E,6Z)-dodecadienoate Constituent of Bartlett pears. Methyl (2E,6Z)-dodecadienoate is found in pomes. (2E,6Z)-Dodecadienoic acid methyl ester Methyl (2E,6Z)-dodeca-2,6-dienoate Methyl (2E,6Z)-dodecadienoate Methyl (2E,6Z)-dodecadienoic acid C13H22O2 210.3126 210.161979948 methyl (2E,6Z)-dodeca-2,6-dienoate methyl (2E,6Z)-dodeca-2,6-dienoate 28369-22-4 CCCCC\C=C/CC\C=C\C(=O)OC InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+ IYSZVOVZPVKXIJ-OFALOCIGSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 5.02 ALOGPS logs -4.84 ALOGPS solubility 3.01e-03 g/l ALOGPS logp 4.49 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl (2E,6Z)-dodeca-2,6-dienoate ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CCCCC\C=C/CC\C=C\C(=O)OC ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+ ChemAxon inchikey IYSZVOVZPVKXIJ-OFALOCIGSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 65.66 ChemAxon polarizability 25.29 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4063 Specdb::MsIr 4064 Specdb::CMs 12344 Specdb::CMs 157122 Specdb::MsMs 90630 Specdb::MsMs 90631 Specdb::MsMs 90632 Specdb::MsMs 153819 Specdb::MsMs 153820 Specdb::MsMs 153821 Specdb::MsMs 2440330 Specdb::MsMs 2440331 Specdb::MsMs 2440332 Specdb::MsMs 2525490 Specdb::MsMs 2525491 Specdb::MsMs 2525492 HMDB31014 #<Reference:0x000055ce320147e8> Pomes Unknown generic