1.0 2011-09-26 22:53:12 UTC 2025-11-19 02:58:05 UTC FDB029634 1-hexen-3-one Flavouring compound [Flavornet] C6H10O 98.145 98.073164942 hex-1-en-3-one hex-1-en-3-one 1629-60-3 CCCC(=O)C=C InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3 JTHNLKXLWOXOQK-UHFFFAOYSA-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 1.38 ALOGPS logs -1.07 ALOGPS solubility 8.30e+00 g/l ALOGPS logp 2.01 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac hex-1-en-3-one ChemAxon average_mass 98.145 ChemAxon mono_mass 98.073164942 ChemAxon smiles CCCC(=O)C=C ChemAxon formula C6H10O ChemAxon inchi InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3 ChemAxon inchikey JTHNLKXLWOXOQK-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 30.07 ChemAxon polarizability 11.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1330504 Specdb::MsMs 1330505 Specdb::MsMs 1330506 Specdb::MsMs 1444789 Specdb::MsMs 1444790 Specdb::MsMs 1444791 Specdb::MsMs 3607000 Specdb::MsMs 3607001 Specdb::MsMs 3607002 Specdb::MsMs 3607003 Specdb::MsMs 3607004 Specdb::MsMs 3607005 cooked cooked vegetable cookedvegetable metal metallic vegetable