1.0 2010-04-08 22:12:02 UTC 2019-11-26 03:12:10 UTC FDB015765 Vitispirane Constituent of the juice of wine grape (Vitis vinifera). Vitispirane is found in alcoholic beverages, fruits, and common grape. 2,10,10-Trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene 6,9-Epoxy-3,5(13)-megastigmadiene C13H20O 192.302 192.151415264 2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene 2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene 65416-59-3 CC1CCC2(O1)C(=C)C=CCC2(C)C InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3 DUPDJVDPPBFBPL-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 Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 4.25 ALOGPS logs -3.95 ALOGPS solubility 2.14e-02 g/l ALOGPS logp 3.15 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene ChemAxon average_mass 192.302 ChemAxon mono_mass 192.151415264 ChemAxon smiles CC1CCC2(O1)C(=C)C=CCC2(C)C ChemAxon formula C13H20O ChemAxon inchi InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3 ChemAxon inchikey DUPDJVDPPBFBPL-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 60.03 ChemAxon polarizability 22.83 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3267 Specdb::CMs 175128 Specdb::NmrOneD 264928 Specdb::NmrOneD 264929 Specdb::NmrOneD 264930 Specdb::NmrOneD 264931 Specdb::NmrOneD 264932 Specdb::NmrOneD 264933 Specdb::NmrOneD 264934 Specdb::NmrOneD 264935 Specdb::NmrOneD 264936 Specdb::NmrOneD 264937 Specdb::NmrOneD 264938 Specdb::NmrOneD 264939 Specdb::NmrOneD 264940 Specdb::NmrOneD 264941 Specdb::NmrOneD 264942 Specdb::NmrOneD 264943 Specdb::NmrOneD 264944 Specdb::NmrOneD 264945 Specdb::NmrOneD 264946 Specdb::NmrOneD 264947 Specdb::MsMs 68712 Specdb::MsMs 68713 Specdb::MsMs 68714 Specdb::MsMs 126813 Specdb::MsMs 126814 Specdb::MsMs 126815 Specdb::MsMs 2378317 Specdb::MsMs 2378318 Specdb::MsMs 2378319 Specdb::MsMs 2557209 Specdb::MsMs 2557210 Specdb::MsMs 2557211 HMDB36818 #<Reference:0x000055ce302d35d0> Alcoholic beverages Unknown generic Blackberry Type 1 specific Rubus Common grape Type 1 specific Vitis vinifera 29760 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Grape Type 1 specific Vitis 3603 Grape wine Type 2 specific earthy floral fruity woody