1.0 2010-04-08 22:12:33 UTC 2019-11-26 03:13:33 UTC FDB016644 Riesling acetal Constituent of Riesling wine. Riesling acetal is found in alcoholic beverages. Riesling acetal C13H22O3 226.312 226.15689457 2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene-2,8-diol 2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene-2,8-diol CC1=CC(O)CC(C)(C)C11CCC(C)(O)O1 InChI=1S/C13H22O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,10,14-15H,5-6,8H2,1-4H3 SJZGKFZUNCXEEW-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compounds Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Hemiacetal Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 1.31 ALOGPS logs -1.73 ALOGPS solubility 4.20e+00 g/l ALOGPS logp 1.46 ChemAxon pka_strongest_acidic 12.3 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene-2,8-diol ChemAxon average_mass 226.312 ChemAxon mono_mass 226.15689457 ChemAxon smiles CC1=CC(O)CC(C)(C)C11CCC(C)(O)O1 ChemAxon formula C13H22O3 ChemAxon inchi InChI=1S/C13H22O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,10,14-15H,5-6,8H2,1-4H3 ChemAxon inchikey SJZGKFZUNCXEEW-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 63.25 ChemAxon polarizability 25.11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12758 Specdb::CMs 45461 Specdb::CMs 158089 Specdb::NmrOneD 141790 Specdb::NmrOneD 141791 Specdb::NmrOneD 141792 Specdb::NmrOneD 141793 Specdb::NmrOneD 141794 Specdb::NmrOneD 141795 Specdb::NmrOneD 141796 Specdb::NmrOneD 141797 Specdb::NmrOneD 141798 Specdb::NmrOneD 141799 Specdb::NmrOneD 141800 Specdb::NmrOneD 141801 Specdb::NmrOneD 141802 Specdb::NmrOneD 141803 Specdb::NmrOneD 141804 Specdb::NmrOneD 141805 Specdb::NmrOneD 141806 Specdb::NmrOneD 141807 Specdb::NmrOneD 141808 Specdb::NmrOneD 141809 Specdb::MsMs 90474 Specdb::MsMs 90475 Specdb::MsMs 90476 Specdb::MsMs 153633 Specdb::MsMs 153634 Specdb::MsMs 153635 Specdb::MsMs 2415937 Specdb::MsMs 2415938 Specdb::MsMs 2415939 Specdb::MsMs 2546229 Specdb::MsMs 2546230 Specdb::MsMs 2546231 HMDB37562 #<Reference:0x000055ce3239ebe8> Alcoholic beverages Unknown generic