1.0 2010-04-08 22:15:05 UTC 2019-11-26 03:19:05 UTC FDB020534 cis-Linalool 3,6-oxide This is the cis form of furanoid linalool oxide, also called 'Linalool oxide B' or 'Linalool oxide I'; there are 2 possible stereo-isomers. cis-Linalool 3,6-oxide is found in many foods, some of which are tea, sweet basil, common oregano, and coriander. (±)-cis-Linalyl oxide (Z)-Furanoid linalool oxide 2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-, (2R,5S)-rel- 2-Furanmethanol, 5-ethenyltetrahydro-a,a,5-trimethyl-, cis- 5-Ethenyltetrahydro-a,a,5-trimethyl-(2R,5S)-rel-2-furanmethanol 5-Ethenyltetrahydro-a,a,5-trimethyl-cis-2-furanmethanol cis-Furanoid linalool oxide cis-Linalool 3,6-oxide Linalool oxide B Linalool oxide I Linalyl oxide; (±)-cis-form C10H18O2 170.2487 170.13067982 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol 5989-33-3 CC(C)(O)[C@H]1CC[C@](C)(O1)C=C InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1 BRHDDEIRQPDPMG-PSASIEDQSA-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 heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Tertiary alcohols Alcohol Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Tertiary alcohol Tetrahydrofuran logp 1.51 ALOGPS logs -2.05 ALOGPS solubility 1.50e+00 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 14.32 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(C)(O)[C@H]1CC[C@](C)(O1)C=C ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1 ChemAxon inchikey BRHDDEIRQPDPMG-PSASIEDQSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 49.04 ChemAxon polarizability 19.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2698 Specdb::CMs 46931 Specdb::CMs 159208 Specdb::MsMs 58158 Specdb::MsMs 58159 Specdb::MsMs 58160 Specdb::MsMs 114018 Specdb::MsMs 114019 Specdb::MsMs 114020 Specdb::MsMs 3060052 Specdb::MsMs 3060053 Specdb::MsMs 3060054 Specdb::MsMs 3109782 Specdb::MsMs 3109783 Specdb::MsMs 3109784 Specdb::MsIr 9062 Specdb::MsIr 9063 Specdb::MsIr 9064 Specdb::NmrOneD 276178 Specdb::NmrOneD 276179 Specdb::NmrOneD 276180 Specdb::NmrOneD 276181 Specdb::NmrOneD 276182 Specdb::NmrOneD 276183 Specdb::NmrOneD 276184 Specdb::NmrOneD 276185 Specdb::NmrOneD 276186 Specdb::NmrOneD 276187 Specdb::NmrOneD 276188 Specdb::NmrOneD 276189 Specdb::NmrOneD 276190 Specdb::NmrOneD 276191 Specdb::NmrOneD 276192 Specdb::NmrOneD 276193 Specdb::NmrOneD 276194 Specdb::NmrOneD 276195 Specdb::NmrOneD 276196 Specdb::NmrOneD 276197 HMDB40726 #<Reference:0x000055ce3273af68> Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 110.0 110.0 110.0 mg/100 g Blackberry Type 1 specific Rubus Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Common oregano Type 1 specific Origanum vulgare 39352 Coriander Type 1 specific Coriandrum sativum 4047 Evergreen blackberry Type 1 specific Rubus laciniatus Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green tea Type 1 110.0 110.0 110.0 mg/100 g Herbal tea Type 1 110.0 110.0 110.0 mg/100 g Papaya Type 1 specific Carica papaya 3649 Red tea Type 1 110.0 110.0 110.0 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 Tarragon Type 1 specific Artemisia dracunculus 72341 Tea Type 1 specific Camellia sinensis 4442 110.0 110.0 110.0 mg/100 g earthy floral flower sweet woody