1.0 2011-09-26 22:54:47 UTC 2015-07-21 07:00:28 UTC FDB029704 2-octenioc acid Flavouring compound [Flavornet] C10H18O2 170.252 170.13067982 ethyl oct-2-enoate ethyl oct-2-enoate 2351-90-8 CCCCCC=CC(=O)OCC InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3 AISZSTYLOVXFII-UHFFFAOYSA-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 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 Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound fatty acid ethyl ester logp 3.71 ALOGPS logs -3.23 ALOGPS solubility 1.01e-01 g/l ALOGPS logp 3.43 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac ethyl oct-2-enoate ChemAxon average_mass 170.252 ChemAxon mono_mass 170.13067982 ChemAxon smiles CCCCCC=CC(=O)OCC ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3 ChemAxon inchikey AISZSTYLOVXFII-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 50.89 ChemAxon polarizability 20.73 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1220530 Specdb::MsMs 1220531 Specdb::MsMs 1220532 Specdb::MsMs 1336219 Specdb::MsMs 1336220 Specdb::MsMs 1336221 Specdb::MsMs 3607210 Specdb::MsMs 3607211 Specdb::MsMs 3607212 Specdb::MsMs 3608305 Specdb::MsMs 3608306 Specdb::MsMs 3608307 fruit fruity green must oil pungent tropical waxy