1.0 2010-04-08 22:07:57 UTC 2025-11-18 23:07:23 UTC FDB008161 5-Methyl-3-hexen-2-one It is used as a food additive . (3E)-5-Methyl-3-hexen-2-one 3-Hexen-2-one, 5-Me 5-methyl-hex-3-en-2-one FEMA 3409 Isobutylideneacetone C7H12O 112.1696 112.088815006 (3Z)-5-methylhex-3-en-2-one (3Z)-5-methylhex-3-en-2-one 5166-53-0 CC(C)\C=C/C(C)=O InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4- IYMKNYVCXUEFJE-PLNGDYQASA-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 1.56 ALOGPS logs -1.73 ALOGPS solubility 2.09e+00 g/l ALOGPS logp 1.98 ChemAxon pka_strongest_acidic 19.84 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (3Z)-5-methylhex-3-en-2-one ChemAxon average_mass 112.1696 ChemAxon mono_mass 112.088815006 ChemAxon smiles CC(C)\C=C/C(C)=O ChemAxon formula C7H12O ChemAxon inchi InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4- ChemAxon inchikey IYMKNYVCXUEFJE-PLNGDYQASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 35.67 ChemAxon polarizability 13.4 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12573 Specdb::CMs 157042 Specdb::MsMs 88047 Specdb::MsMs 88048 Specdb::MsMs 88049 Specdb::MsMs 150690 Specdb::MsMs 150691 Specdb::MsMs 150692 Specdb::MsMs 2816473 Specdb::MsMs 2816474 Specdb::MsMs 2816475 Specdb::MsMs 2892680 Specdb::MsMs 2892681 Specdb::MsMs 2892682 Specdb::MsIr 4616 Specdb::MsIr 4617 Specdb::NmrOneD 19242 Specdb::NmrOneD 19243 Specdb::NmrOneD 19244 Specdb::NmrOneD 19245 Specdb::NmrOneD 19246 Specdb::NmrOneD 19247 Specdb::NmrOneD 19248 Specdb::NmrOneD 19249 Specdb::NmrOneD 19250 Specdb::NmrOneD 19251 Specdb::NmrOneD 19252 Specdb::NmrOneD 19253 Specdb::NmrOneD 19254 Specdb::NmrOneD 19255 Specdb::NmrOneD 19256 Specdb::NmrOneD 19257 Specdb::NmrOneD 19258 Specdb::NmrOneD 19259 Specdb::NmrOneD 19260 Specdb::NmrOneD 19261 HMDB0031550 berry cheese sweet