1.0 2010-04-08 22:08:02 UTC 2019-11-26 03:02:31 UTC FDB008355 cis-3-Hexenyl trans-4-hexenoate Constituent of Spanish oregano (Coridothymus capitatus). cis-3-Hexenyl trans-4-hexenoate is found in herbs and spices. cis-3-Hexenyl trans-4-hexenoate C12H20O2 196.286 196.146329884 (3Z)-hex-3-en-1-yl (4E)-hex-4-enoate (3Z)-hex-3-en-1-yl (4E)-hex-4-enoate 74638-19-0 CC\C=C/CCOC(=O)CC\C=C\C InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h4-7H,3,8-11H2,1-2H3/b6-4+,7-5- WGKGNHCLNHFGQO-GUBXDBFYSA-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 Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.00 ALOGPS logs -3.67 ALOGPS solubility 4.18e-02 g/l ALOGPS logp 3.45 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3Z)-hex-3-en-1-yl (4E)-hex-4-enoate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CC\C=C/CCOC(=O)CC\C=C\C ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h4-7H,3,8-11H2,1-2H3/b6-4+,7-5- ChemAxon inchikey WGKGNHCLNHFGQO-GUBXDBFYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 61.15 ChemAxon polarizability 23.73 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4844 Specdb::MsIr 4845 Specdb::CMs 21364 Specdb::CMs 151942 Specdb::MsMs 59028 Specdb::MsMs 59029 Specdb::MsMs 59030 Specdb::MsMs 115071 Specdb::MsMs 115072 Specdb::MsMs 115073 Specdb::MsMs 2336146 Specdb::MsMs 2336147 Specdb::MsMs 2336148 Specdb::MsMs 2629556 Specdb::MsMs 2629557 Specdb::MsMs 2629558 HMDB31692 #<Reference:0x000055ce33519f08> Herbs and Spices Unknown generic