1.0 2010-04-08 22:11:57 UTC 2025-11-19 00:56:43 UTC FDB015616 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol From quince (Cydonia oblonga). 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol is found in quince and fruits. 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-indene-1,2-diol, 9CI C13H20O2 208.2967 208.146329884 (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diol (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,5-dihydroindene-1,2-diol 99901-24-3 C[C@]1(O)[C@H](O)C=C2[C@@]1(C)C=CCC2(C)C InChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1 SKBCVUCDJRKPAH-RTXFEEFZSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Tertiary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds 1,2-diols Hydrocarbon derivatives Secondary alcohols 1,2-diol Aliphatic homopolycyclic compound Hydrocarbon derivative Secondary alcohol Tertiary alcohol logp 2.52 ALOGPS logs -2.21 ALOGPS solubility 1.29e+00 g/l ALOGPS logp 1.47 ChemAxon pka_strongest_acidic 13.22 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (1R,2R,7aR)-1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-indene-1,2-diol ChemAxon average_mass 208.2967 ChemAxon mono_mass 208.146329884 ChemAxon smiles C[C@]1(O)[C@H](O)C=C2[C@@]1(C)C=CCC2(C)C ChemAxon formula C13H20O2 ChemAxon inchi InChI=1S/C13H20O2/c1-11(2)6-5-7-12(3)9(11)8-10(14)13(12,4)15/h5,7-8,10,14-15H,6H2,1-4H3/t10-,12-,13+/m1/s1 ChemAxon inchikey SKBCVUCDJRKPAH-RTXFEEFZSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 62.33 ChemAxon polarizability 23.62 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7306 Specdb::MsIr 7307 Specdb::MsIr 7308 Specdb::CMs 17251 Specdb::CMs 44973 Specdb::CMs 150833 Specdb::MsMs 51573 Specdb::MsMs 51574 Specdb::MsMs 51575 Specdb::MsMs 146271 Specdb::MsMs 146272 Specdb::MsMs 146273 Specdb::MsMs 2275797 Specdb::MsMs 2275798 Specdb::MsMs 2275799 Specdb::MsMs 3093553 Specdb::MsMs 3093554 Specdb::MsMs 3093555 HMDB36686 #<Reference:0x000055ce320e9948> Fruits Unknown generic Quince Type 1 specific Cydonia oblonga 36610