1.0 2020-04-02 17:47:47 UTC 2020-04-02 17:47:48 UTC FDB097313 linalool oxide (trans-furan) C10H16O 152.237 152.120115135 2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol 2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol CC(=C)[C@@H]1CC[C@](C)(O1)C=C InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10+/m0/s1 XIGFNCYVSHOLIF-VHSXEESVSA-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 1.99 ALOGPS logs -2.72 ALOGPS solubility 3.52e-01 g/l ALOGPS logp 1.95 ChemAxon pka_strongest_acidic 14.11 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-[(2S,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]propan-2-ol ChemAxon average_mass 152.237 ChemAxon mono_mass 152.120115135 ChemAxon smiles CC(=C)[C@@H]1CC[C@](C)(O1)C=C ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10+/m0/s1 ChemAxon inchikey XIGFNCYVSHOLIF-VHSXEESVSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 53.68 ChemAxon polarizability 21.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5918 Specdb::MsMs 241135 Specdb::MsMs 241136 Specdb::MsMs 241137 Specdb::MsMs 243190 Specdb::MsMs 243191 Specdb::MsMs 243192 Grape Type 1 specific Vitis 3603 Grape wine Type 2 specific Milk (Cow) Type 2 specific 1.8625 3.0 0.7 uM