1.0 2010-04-08 22:05:37 UTC 2019-11-26 02:58:22 UTC FDB003022 Methyl (E)-2-dodecenoate Occurs in volatile component of pears. Methyl (E)-2-dodecenoate is found in pomes. (E)-2-Dodecenoic acid methyl ester Methyl (E)-2-dodecenoate C13H24O2 212.3285 212.177630012 methyl (2E)-dodec-2-enoate methyl (2E)-dodec-2-enoate 6208-91-9 CCCCCCCCC\C=C\C(=O)OC InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h11-12H,3-10H2,1-2H3/b12-11+ YWSDDOFJTUOVMX-VAWYXSNFSA-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 5.44 ALOGPS logs -5.15 ALOGPS solubility 1.51e-03 g/l ALOGPS logp 4.86 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl (2E)-dodec-2-enoate ChemAxon average_mass 212.3285 ChemAxon mono_mass 212.177630012 ChemAxon smiles CCCCCCCCC\C=C\C(=O)OC ChemAxon formula C13H24O2 ChemAxon inchi InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h11-12H,3-10H2,1-2H3/b12-11+ ChemAxon inchikey YWSDDOFJTUOVMX-VAWYXSNFSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 64.54 ChemAxon polarizability 26.81 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17678 Specdb::CMs 169306 Specdb::MsMs 84723 Specdb::MsMs 84724 Specdb::MsMs 84725 Specdb::MsMs 146643 Specdb::MsMs 146644 Specdb::MsMs 146645 Specdb::MsMs 3042622 Specdb::MsMs 3042623 Specdb::MsMs 3042624 Specdb::MsMs 3097141 Specdb::MsMs 3097142 Specdb::MsMs 3097143 HMDB31028 #<Reference:0x000055ce321bd310> Pomes Unknown generic