1.0 2010-04-08 22:05:58 UTC 2019-11-26 02:59:36 UTC FDB003820 1,5-Cineole 1,5-cineole is a member of the class of 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. 1,5-cineole is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,5-cineole can be found in dill, which makes 1,5-cineole a potential biomarker for the consumption of this food product. C10H18O 154.2493 154.135765198 (1S,5S)-1-methyl-4-(propan-2-yl)-6-oxabicyclo[3.1.1]heptane (1S,5S)-4-isopropyl-1-methyl-6-oxabicyclo[3.1.1]heptane CC(C)C1CC[C@@]2(C)C[C@@H]1O2 InChI=1S/C10H18O/c1-7(2)8-4-5-10(3)6-9(8)11-10/h7-9H,4-6H2,1-3H3/t8?,9-,10-/m0/s1 SCBPMTMIWOKDGL-AGROOBSYSA-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 heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Oxetanes Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Oxetane logp 2.41 ALOGPS logs -3.59 ALOGPS solubility 4.00e-02 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (1S,5S)-1-methyl-4-(propan-2-yl)-6-oxabicyclo[3.1.1]heptane ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC(C)C1CC[C@@]2(C)C[C@@H]1O2 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-7(2)8-4-5-10(3)6-9(8)11-10/h7-9H,4-6H2,1-3H3/t8?,9-,10-/m0/s1 ChemAxon inchikey SCBPMTMIWOKDGL-AGROOBSYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 45.65 ChemAxon polarizability 19.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43965 Specdb::MsMs 43966 Specdb::MsMs 43967 Specdb::MsMs 134061 Specdb::MsMs 134062 Specdb::MsMs 134063 Specdb::MsMs 3599471 Specdb::MsMs 3599472 Specdb::MsMs 3599473 Specdb::MsMs 3599474 Specdb::MsMs 3599475 Specdb::MsMs 3599476 Dill Type 1 specific Anethum graveolens 40922