1.0 2010-04-08 22:06:57 UTC 2025-11-18 23:00:46 UTC FDB006034 Myrtenyl methyl ether Myrtenyl methyl ether is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Myrtenyl methyl ether is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Myrtenyl methyl ether can be found in hyssop and orange mint, which makes myrtenyl methyl ether a potential biomarker for the consumption of these food products. C11H18O 166.264 166.1357652 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene COCC1=CCC2CC1C2(C)C InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3 GMYAZJHVKQKHSD-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Aliphatic homopolycyclic compound Bicyclic monoterpenoid Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Pinane monoterpenoid logp 3.80 ALOGPS logs -2.91 ALOGPS solubility 2.06e-01 g/l ALOGPS logp 2.16 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene ChemAxon average_mass 166.264 ChemAxon mono_mass 166.1357652 ChemAxon smiles COCC1=CCC2CC1C2(C)C ChemAxon formula C11H18O ChemAxon inchi InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3 ChemAxon inchikey GMYAZJHVKQKHSD-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 51.25 ChemAxon polarizability 20.24 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43260 Specdb::MsMs 43261 Specdb::MsMs 43262 Specdb::MsMs 126810 Specdb::MsMs 126811 Specdb::MsMs 126812 Specdb::MsMs 3602441 Specdb::MsMs 3602442 Specdb::MsMs 3602443 Specdb::MsMs 3602444 Specdb::MsMs 3602445 Specdb::MsMs 3602446 Hyssop Type 1 specific Hyssopus officinalis 39324 12.825 19.05 6.6 mg/100 g Orange mint Type 1 specific Mentha aquatica 190902 0.105 0.105 0.105 mg/100 g