1.0 2010-04-08 22:11:57 UTC 2025-11-19 00:56:43 UTC FDB015615 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one is found in quince and fruits. 1,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-2H-inden-2-one, 9CI 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one C13H18O 190.2814 190.135765198 1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-one 1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one 99901-22-1 CC1C(=O)C=C2C1(C)C=CCC2(C)C InChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3 KTDAEZJBJUWAPC-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. Cyclic ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homopolycyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Cyclic ketone Hydrocarbon derivative Organic oxide logp 3.77 ALOGPS logs -3.05 ALOGPS solubility 1.70e-01 g/l ALOGPS logp 3.07 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-one ChemAxon average_mass 190.2814 ChemAxon mono_mass 190.135765198 ChemAxon smiles CC1C(=O)C=C2C1(C)C=CCC2(C)C ChemAxon formula C13H18O ChemAxon inchi InChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3 ChemAxon inchikey KTDAEZJBJUWAPC-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 60.16 ChemAxon polarizability 22.04 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7370 Specdb::MsMs 7371 Specdb::MsMs 7372 Specdb::MsMs 14042 Specdb::MsMs 14043 Specdb::MsMs 14044 Specdb::MsMs 2697183 Specdb::MsMs 2697184 Specdb::MsMs 2697185 Specdb::MsMs 2981825 Specdb::MsMs 2981826 Specdb::MsMs 2981827 Specdb::CMs 10904 Specdb::CMs 153349 HMDB36685 #<Reference:0x000055ce306230a0> Fruits Unknown generic Quince Type 1 specific Cydonia oblonga 36610