1.0 2010-04-08 22:14:14 UTC 2019-11-26 03:17:17 UTC FDB019243 Colupone Colupone is found in alcoholic beverages. Colupone is found in hops. 5-Hydroxy-2,2,6,6-tetrakis(3-methyl-2-butenyl)-4-(2-methyl-1-oxopropyl)-4-cyclohexene-1,3-dione, 9CI C30H44O4 468.668 468.323959896 5-hydroxy-2,2,6,6-tetrakis(3-methylbut-2-en-1-yl)-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione 5-hydroxy-2,2,6,6-tetrakis(3-methylbut-2-en-1-yl)-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione 16658-23-4 CC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O InChI=1S/C30H44O4/c1-19(2)11-15-29(16-12-20(3)4)26(32)24(25(31)23(9)10)27(33)30(28(29)34,17-13-21(5)6)18-14-22(7)8/h11-14,23,32H,15-18H2,1-10H3 KPPHPIMYCLGAER-UHFFFAOYSA-N belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively. M-benzoquinones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Cyclohexenones Enols Hydrocarbon derivatives Organic oxides Vinylogous acids Aliphatic homomonocyclic compound Cyclohexenone Enol Hydrocarbon derivative M-benzoquinone Organic oxide Vinylogous acid logp 5.16 ALOGPS logs -5.44 ALOGPS solubility 1.71e-03 g/l ALOGPS logp 8.37 ChemAxon pka_strongest_acidic 2.52 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 5-hydroxy-2,2,6,6-tetrakis(3-methylbut-2-en-1-yl)-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione ChemAxon average_mass 468.668 ChemAxon mono_mass 468.323959896 ChemAxon smiles CC(C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O ChemAxon formula C30H44O4 ChemAxon inchi InChI=1S/C30H44O4/c1-19(2)11-15-29(16-12-20(3)4)26(32)24(25(31)23(9)10)27(33)30(28(29)34,17-13-21(5)6)18-14-22(7)8/h11-14,23,32H,15-18H2,1-10H3 ChemAxon inchikey KPPHPIMYCLGAER-UHFFFAOYSA-N ChemAxon polar_surface_area 71.44 ChemAxon refractivity 145.71 ChemAxon polarizability 55.37 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14349 Specdb::CMs 46488 Specdb::CMs 159269 Specdb::MsMs 9422 Specdb::MsMs 9423 Specdb::MsMs 9424 Specdb::MsMs 16094 Specdb::MsMs 16095 Specdb::MsMs 16096 Specdb::MsMs 2362292 Specdb::MsMs 2362293 Specdb::MsMs 2362294 Specdb::MsMs 2600039 Specdb::MsMs 2600040 Specdb::MsMs 2600041 HMDB39615 #<Reference:0x000055ce309daf40> Alcoholic beverages Unknown generic