1.0 2010-04-08 22:07:55 UTC 2025-11-18 23:06:50 UTC FDB008095 Methyl (E)-3-hexenoate Minor constituent of pineapples, also found in soursop (Annona muricata) and mountain papaya (Carica pubescens). 3-Hexenoic acid, methyl ester, (3E)- 3-Hexenoic acid, methyl ester, (E)- FEMA 3364 Methyl (3E)-3-hexenoate Methyl (E)-hex-3-enoate Methyl 3-hexenoate Methyl hex-3-enoate Methyl hydrosorbate Methyl trans-3-hexenoate C7H12O2 128.169 128.083729628 methyl (3Z)-hex-3-enoate methyl (3Z)-hex-3-enoate 2396-78-3 CC\C=C/CC(=O)OC InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4- XEAIHUDTEINXFG-PLNGDYQASA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Fatty acid methyl esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid methyl ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.08 ALOGPS logs -1.52 ALOGPS solubility 3.85e+00 g/l ALOGPS logp 1.59 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac methyl (3Z)-hex-3-enoate ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CC\C=C/CC(=O)OC ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4- ChemAxon inchikey XEAIHUDTEINXFG-PLNGDYQASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 36.96 ChemAxon polarizability 14.66 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 317122 Specdb::MsMs 317123 Specdb::MsMs 317124 Specdb::MsMs 363526 Specdb::MsMs 363527 Specdb::MsMs 363528 Specdb::MsMs 2314181 Specdb::MsMs 2314182 Specdb::MsMs 2314183 Specdb::MsMs 2621168 Specdb::MsMs 2621169 Specdb::MsMs 2621170 Specdb::CMs 23015 Specdb::CMs 147926 Specdb::MsIr 4535 Specdb::MsIr 4536 Specdb::NmrOneD 19002 Specdb::NmrOneD 19003 Specdb::NmrOneD 19004 Specdb::NmrOneD 19005 Specdb::NmrOneD 19006 Specdb::NmrOneD 19007 Specdb::NmrOneD 19008 Specdb::NmrOneD 19009 Specdb::NmrOneD 19010 Specdb::NmrOneD 19011 Specdb::NmrOneD 19012 Specdb::NmrOneD 19013 Specdb::NmrOneD 19014 Specdb::NmrOneD 19015 Specdb::NmrOneD 19016 Specdb::NmrOneD 19017 Specdb::NmrOneD 19018 Specdb::NmrOneD 19019 Specdb::NmrOneD 19020 Specdb::NmrOneD 19021 HMDB0031504 Fruits Unknown generic earthy slightly fruity sweet