1.0 2010-04-08 22:11:03 UTC 2019-11-26 03:09:27 UTC FDB014038 Linalool 3,7-oxide Constituent of Citrus subspecies This is the pyranoid form of linalool oxide; there are 4 possible stereo-isomers. [FooDB]. Linalool 3,7-oxide is found in citrus. 2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol 2,6,6-trimethyl-2-vinyl-5-hydroxytetrahydropyran 2H-Pyran-3-ol, 6-ethenyl-tetrahydro-2,2,6-trimethyl- 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl- 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl- 3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran 6-Ethenyl-3,4,5,6-tetrahydro-2,2,6-trimethyl-2H-pyran-3-ol 6-Ethenyl-tetrahydro-2,2,6-trimethyl-2H-pyran-3-ol 6-Ethenyltetrahydro-2,2,6-trimethyl-2H-pyran-3-ol Cnidiol C Linalool 3,7-oxide Linalool oxide pyranoside Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol C10H18O2 170.2487 170.13067982 6-ethenyl-2,2,6-trimethyloxan-3-ol 6-ethenyl-2,2,6-trimethyloxan-3-ol 14049-11-7 CC1(C)OC(C)(CCC1O)C=C InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3 BCTBAGTXFYWYMW-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Secondary alcohol logp 1.68 ALOGPS logs -2.03 ALOGPS solubility 1.58e+00 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 14 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 6-ethenyl-2,2,6-trimethyloxan-3-ol ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC1(C)OC(C)(CCC1O)C=C ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3 ChemAxon inchikey BCTBAGTXFYWYMW-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 49.04 ChemAxon polarizability 19.26 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18677 Specdb::CMs 44353 Specdb::CMs 149789 Specdb::MsMs 64308 Specdb::MsMs 64309 Specdb::MsMs 64310 Specdb::MsMs 121431 Specdb::MsMs 121432 Specdb::MsMs 121433 Specdb::MsMs 2764323 Specdb::MsMs 2764324 Specdb::MsMs 2764325 Specdb::MsMs 2941558 Specdb::MsMs 2941559 Specdb::MsMs 2941560 HMDB35365 #<Reference:0x000055ce3004cbe0> Citrus Unknown generic floral flower