1.0 2010-04-08 22:12:43 UTC 2025-11-19 01:50:54 UTC FDB016918 5,9:6,9-Diepoxy-3-megastigmene Constituent of quince fruit (Cydonia oblonga) brandy and Riesling wine. 5,9:6,9-Diepoxy-3-megastigmene is found in alcoholic beverages and fruits. 2,2,6,8-Tetramethyl-7,11-dioxatricyclo[6.2.1.01,6]undec-4-ene C13H20O2 208.2967 208.146329884 2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.0¹,⁶]undec-4-ene 2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.0¹,⁶]undec-4-ene CC12CCC3(O1)C(C)(O2)C=CCC3(C)C InChI=1S/C13H20O2/c1-10(2)6-5-7-11(3)13(10)9-8-12(4,14-11)15-13/h5,7H,6,8-9H2,1-4H3 QXHORPLJTIHQGR-UHFFFAOYSA-N belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic heteropolycyclic compounds 1,3-dioxolanes Hydrocarbon derivatives Oxacyclic compounds Oxanes Tetrahydrofurans Aliphatic heteropolycyclic compound Hydrocarbon derivative Ketal Meta-dioxolane Organoheterocyclic compound Oxacycle Oxane Tetrahydrofuran logp 3.29 ALOGPS logs -3.68 ALOGPS solubility 4.37e-02 g/l ALOGPS logp 2.81 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,2,6,8-tetramethyl-7,11-dioxatricyclo[6.2.1.0¹,⁶]undec-4-ene ChemAxon average_mass 208.2967 ChemAxon mono_mass 208.146329884 ChemAxon smiles CC12CCC3(O1)C(C)(O2)C=CCC3(C)C ChemAxon formula C13H20O2 ChemAxon inchi InChI=1S/C13H20O2/c1-10(2)6-5-7-11(3)13(10)9-8-12(4,14-11)15-13/h5,7H,6,8-9H2,1-4H3 ChemAxon inchikey QXHORPLJTIHQGR-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 59.94 ChemAxon polarizability 23.69 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24800 Specdb::CMs 160534 Specdb::MsMs 90993 Specdb::MsMs 90994 Specdb::MsMs 90995 Specdb::MsMs 154281 Specdb::MsMs 154282 Specdb::MsMs 154283 Specdb::MsMs 2712953 Specdb::MsMs 2712954 Specdb::MsMs 2712955 Specdb::MsMs 2965926 Specdb::MsMs 2965927 Specdb::MsMs 2965928 HMDB37776 #<Reference:0x00007f093c153078> Alcoholic beverages Unknown generic Fruits Unknown generic