1.0 2011-09-26 22:53:34 UTC 2025-11-19 02:58:14 UTC FDB029650 5-methyl-(E)-2-hepten-4-one Flavouring compound [Flavornet] C8H14O 126.1962 126.10446507 (2E)-5-methylhept-2-en-4-one (2E)-5-methylhept-2-en-4-one 102322-83-8 CCC(C)C(=O)\C=C\C InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ ARJWAURHQDJJAC-GQCTYLIASA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Enone Hydrocarbon derivative Ketone Organic oxide logp 2.56 ALOGPS logs -1.87 ALOGPS solubility 1.72e+00 g/l ALOGPS logp 2.94 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2E)-5-methylhept-2-en-4-one ChemAxon average_mass 126.1962 ChemAxon mono_mass 126.10446507 ChemAxon smiles CCC(C)C(=O)\C=C\C ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ ChemAxon inchikey ARJWAURHQDJJAC-GQCTYLIASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.32 ChemAxon polarizability 15.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1302481 Specdb::MsMs 1302482 Specdb::MsMs 1302483 Specdb::MsMs 1417060 Specdb::MsMs 1417061 Specdb::MsMs 1417062 Specdb::MsMs 3605776 Specdb::MsMs 3605777 Specdb::MsMs 3605778 Specdb::MsMs 3605779 Specdb::MsMs 3605780 Specdb::MsMs 3605781 hazelnut nut nutty