1.0 2019-08-26 17:02:29 UTC 2019-11-26 03:24:13 UTC FDB093548 5-Hexen-2-one, 5-methyl-3-methylene C8H12O 124.183 124.088815006 5-methyl-3-methylidenehex-5-en-2-one 5-methyl-3-methylidenehex-5-en-2-one CC(=C)CC(=C)C(C)=O InChI=1S/C8H12O/c1-6(2)5-7(3)8(4)9/h1,3,5H2,2,4H3 WEAGIKYKIOBREP-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom. Alpha-branched alpha,beta-unsaturated ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Alpha-branched alpha,beta-unsaturated-ketone Enone Hydrocarbon derivative Ketone Organic oxide logp 1.95 ALOGPS logs -1.91 ALOGPS solubility 1.52e+00 g/l ALOGPS logp 2.09 ChemAxon pka_strongest_acidic 19.77 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 5-methyl-3-methylidenehex-5-en-2-one ChemAxon average_mass 124.183 ChemAxon mono_mass 124.088815006 ChemAxon smiles CC(=C)CC(=C)C(C)=O ChemAxon formula C8H12O ChemAxon inchi InChI=1S/C8H12O/c1-6(2)5-7(3)8(4)9/h1,3,5H2,2,4H3 ChemAxon inchikey WEAGIKYKIOBREP-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 38.73 ChemAxon polarizability 14.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3609346 Specdb::MsMs 3609347 Specdb::MsMs 3609348 Specdb::MsMs 3609349 Specdb::MsMs 3609350 Specdb::MsMs 3609351 Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755