1.0 2016-09-30 23:09:31 UTC 2020-05-11 19:57:49 UTC BMDB0004472 BMDB04472 Eucalyptol 1,8-Cineol 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane Cineole 1,8-Cineole Soledum 1,8-Epoxy-p-menthane 1,8-Oxido-p-menthane 2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane Cajeputol CINEOL CNL Cucalyptol Eucalyptole Eucapur Eukalyptol Limonene oxide p-Cineole Terpan Zedoary oil Zineol 1,8 Epoxy p menthane 1,8 Cineol 1,8 Cineole C10H18O 154.253 154.1357652 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane eucalyptol 470-82-6 CC12CCC(CC1)C(C)(C)O2 InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 WEEGYLXZBRQIMU-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. Organic compounds Organoheterocyclic compounds Oxanes Oxanes Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Aliphatic heteropolycyclic compounds Cyclic monoterpenes Menthane monoterpenoids Menthane monoterpenoids a monoterpenoid Liquid melting_point 1.5 °C water_solubility 3.5 mg/mL at 21 °C logp 2.74 GRIFFIN,S ET AL. (1999) logp 3.36 ALOGPS logs -3.84 ALOGPS logp 2.35 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane ChemAxon average_mass 154.253 ChemAxon mono_mass 154.1357652 ChemAxon smiles CC12CCC(CC1)C(C)(C)O2 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 ChemAxon inchikey WEEGYLXZBRQIMU-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 45.86 ChemAxon polarizability 18.54 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 5566 Specdb::CMs 103754 Specdb::NmrTwoD 1935 Specdb::MsMs 2391 Specdb::MsMs 2392 Specdb::MsMs 2393 Specdb::MsMs 239689 Specdb::MsMs 239690 Specdb::MsMs 239691 Specdb::MsMs 241744 Specdb::MsMs 241745 Specdb::MsMs 241746 Specdb::NmrOneD 2000 Specdb::NmrOneD 277618 Specdb::NmrOneD 277619 Specdb::NmrOneD 277620 Specdb::NmrOneD 277621 Specdb::NmrOneD 277622 Specdb::NmrOneD 277623 Specdb::NmrOneD 277624 Specdb::NmrOneD 277625 Specdb::NmrOneD 277626 Specdb::NmrOneD 277627 Specdb::NmrOneD 277628 Specdb::NmrOneD 277629 Specdb::NmrOneD 277630 Specdb::NmrOneD 277631 Specdb::NmrOneD 277632 Specdb::NmrOneD 277633 Specdb::NmrOneD 277634 Specdb::NmrOneD 277635 Specdb::NmrOneD 277636 Specdb::NmrOneD 277637 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 2656 FDB014616 2758 C09844 584235 C00000136 CPD-4261 Eucalyptol 7060 Lana, Enio J. Leao; Rocha, Kelly A. da Silva; Kozhevnikov, Ivan V.; Gusevskaya, Elena V. Synthesis of 1,8-cineole and 1,4-cineole by isomerization of a-terpineol catalyzed by heteropoly acid. Journal of Molecular Catalysis A: Chemical (2006), 259(1-2), 99-102.