1.0 2011-05-11 20:51:21 UTC 2015-07-21 06:56:30 UTC FDB021838 (+)-cis-Linalool 3,7-oxide Synthetic [CCD] This is the (+)- isomer of cis pyranoid linalool oxide. [FooDB] (+)-cis-2,6,6-Trimethyl-2-vinyl-5-hydroxytetrahydropyran (+)-Cis-linalol pyranoxide (+)-cis-Linalool 3,7-oxide (3R,6R)-Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R-cis)- 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, (3R,6R)- 2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-, (3R,6R)-(+)- (8CI) 6-Ethenyltetrahydro-2,2,6-trimethyl-(3R-cis)-2H-pyran-3-ol 6-Ethenyltetrahydro-2,2,6-trimethyl-(3R,6R)-2H-pyran-3-ol C10H18O2 170.2487 170.13067982 (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol 24048-52-0 CC1(C)O[C@](C)(CC[C@H]1O)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/t8-,10+/m1/s1 BCTBAGTXFYWYMW-SCZZXKLOSA-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 melting_point Mp 94-95° logp 1.67 ChemAxon pka_strongest_acidic 14 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC1(C)O[C@](C)(CC[C@H]1O)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/t8-,10+/m1/s1 ChemAxon inchikey BCTBAGTXFYWYMW-SCZZXKLOSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 49.04 ChemAxon polarizability 19.38 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4459 Specdb::MsIr 4460 Specdb::MsIr 4461 Specdb::CMs 10508 Specdb::CMs 29746 Specdb::CMs 42487 Specdb::CMs 100776 Specdb::CMs 102258 Specdb::CMs 102259 Specdb::CMs 135923 Specdb::CMs 143657 Specdb::CMs 160059 Specdb::MsMs 289165 Specdb::MsMs 289166 Specdb::MsMs 289167 Specdb::MsMs 328519 Specdb::MsMs 328520 Specdb::MsMs 328521 Specdb::MsMs 2380422 Specdb::MsMs 2380423 Specdb::MsMs 2380424 Specdb::MsMs 2557857 Specdb::MsMs 2557858 Specdb::MsMs 2557859 HMDB41630 #<Reference:0x0000561271e67358>