1.0 2011-07-19 19:40:38 UTC 2019-11-26 03:20:59 UTC FDB021865 (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one Constituent of cigar tobacco, isol. by glc [CCD]. (3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one is found in common grape. 3-Hydroxy-b-damascone 3-Hydroxy-beta-damascone 3,5,8-Megastigmatrien-7-one; 3,4-Dihydro, 3-hydroxy C13H20O2 208.2967 208.146329884 (2E)-1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one (2E)-1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one 35734-61-3 C\C=C\C(=O)C1=C(C)CC(O)CC1(C)C InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+ UPRXEFYRIACHQZ-AATRIKPKSA-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 homomonocyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Acryloyl-group Alcohol Aliphatic homomonocyclic compound Enone Hydrocarbon derivative Ketone Organic oxide Secondary alcohol logp 2.48 ALOGPS logs -2.22 ALOGPS solubility 1.25e+00 g/l ALOGPS logp 2.66 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2E)-1-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one ChemAxon average_mass 208.2967 ChemAxon mono_mass 208.146329884 ChemAxon smiles C\C=C\C(=O)C1=C(C)CC(O)CC1(C)C ChemAxon formula C13H20O2 ChemAxon inchi InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+ ChemAxon inchikey UPRXEFYRIACHQZ-AATRIKPKSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 63.57 ChemAxon polarizability 24.3 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18594 Specdb::CMs 47420 Specdb::CMs 149249 Specdb::MsIr 9357 Specdb::MsIr 9358 Specdb::MsIr 9359 Specdb::MsMs 307264 Specdb::MsMs 307265 Specdb::MsMs 307266 Specdb::MsMs 351166 Specdb::MsMs 351167 Specdb::MsMs 351168 Specdb::MsMs 3044824 Specdb::MsMs 3044825 Specdb::MsMs 3044826 Specdb::MsMs 3099415 Specdb::MsMs 3099416 Specdb::MsMs 3099417 HMDB41636 #<Reference:0x000055ce33417560> Blackberry Type 1 specific Rubus Common grape Type 1 specific Vitis vinifera 29760 Evergreen blackberry Type 1 specific Rubus laciniatus