1.02010-04-08 22:11:57 UTC2019-11-26 03:11:56 UTCFDB0156152,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-oneFrom 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, 9CI2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-oneC13H18O190.2814190.1357651981,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-one1,4,4,7a-tetramethyl-1,5-dihydroinden-2-one99901-22-1CC1C(=O)C=C2C1(C)C=CCC2(C)CInChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3KTDAEZJBJUWAPC-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 ketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic homopolycyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic homopolycyclic compoundCyclic ketoneHydrocarbon derivativeOrganic oxidelogp3.77logs-3.05solubility1.70e-01 g/llogp3.07pka_strongest_basic-5.3iupac1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-oneaverage_mass190.2814mono_mass190.135765198smilesCC1C(=O)C=C2C1(C)C=CCC2(C)CformulaC13H18OinchiInChI=1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3inchikeyKTDAEZJBJUWAPC-UHFFFAOYSA-Npolar_surface_area17.07refractivity60.16polarizability22.04rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs10904Specdb::CMs153349Specdb::MsMs7370Specdb::MsMs7371Specdb::MsMs7372Specdb::MsMs14042Specdb::MsMs14043Specdb::MsMs14044Specdb::MsMs2697183Specdb::MsMs2697184Specdb::MsMs2697185Specdb::MsMs2981825Specdb::MsMs2981826Specdb::MsMs2981827HMDB36685#<Reference:0x0000555675cba1a8>FruitsUnknowngenericQuinceType 1specificCydonia oblonga36610