1.0 2011-09-26 22:54:12 UTC 2025-11-19 02:58:26 UTC FDB029679 4-ethyl-6-hepten-3-one Flavouring compound [Flavornet] C9H16O 140.226 140.120115135 4-ethylhept-6-en-3-one 4-ethylhept-6-en-3-one 131671-56-2 CCC(CC=C)C(=O)CC InChI=1S/C9H16O/c1-4-7-8(5-2)9(10)6-3/h4,8H,1,5-7H2,2-3H3 SUOMOGSVQCEXBO-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide logp 2.75 ALOGPS logs -2.79 ALOGPS solubility 2.28e-01 g/l ALOGPS logp 3.08 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 4-ethylhept-6-en-3-one ChemAxon average_mass 140.226 ChemAxon mono_mass 140.120115135 ChemAxon smiles CCC(CC=C)C(=O)CC ChemAxon formula C9H16O ChemAxon inchi InChI=1S/C9H16O/c1-4-7-8(5-2)9(10)6-3/h4,8H,1,5-7H2,2-3H3 ChemAxon inchikey SUOMOGSVQCEXBO-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 43.87 ChemAxon polarizability 17.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1237621 Specdb::MsMs 1237622 Specdb::MsMs 1237623 Specdb::MsMs 1353076 Specdb::MsMs 1353077 Specdb::MsMs 1353078 Specdb::MsMs 3607153 Specdb::MsMs 3607154 Specdb::MsMs 3607155 Specdb::MsMs 3607156 Specdb::MsMs 3607157 Specdb::MsMs 3607158 fish fishy