1.0 2010-04-08 22:07:22 UTC 2025-11-18 23:03:07 UTC FDB006925 cis-Myrtenol Cis-myrtenol 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. Cis-myrtenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-myrtenol can be found in rosemary, which makes cis-myrtenol a potential biomarker for the consumption of this food product. C10H18O 154.253 154.1357652 [(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methanol [(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methanol [H][C@]12C[C@]([H])([C@@]([H])(CO)CC1)C2(C)C InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8-,9-/m1/s1 LDWAIHWGMRVEFR-IWSPIJDZSA-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 Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic homopolycyclic compound Bicyclic monoterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Pinane monoterpenoid Primary alcohol logp 2.53 ALOGPS logs -2.68 ALOGPS solubility 3.25e-01 g/l ALOGPS logp 1.85 ChemAxon pka_strongest_acidic 17.91 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac [(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methanol ChemAxon average_mass 154.253 ChemAxon mono_mass 154.1357652 ChemAxon smiles [H][C@]12C[C@]([H])([C@@]([H])(CO)CC1)C2(C)C ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8-,9-/m1/s1 ChemAxon inchikey LDWAIHWGMRVEFR-IWSPIJDZSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 45.72 ChemAxon polarizability 18.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94404 Specdb::MsMs 94405 Specdb::MsMs 94406 Specdb::MsMs 158427 Specdb::MsMs 158428 Specdb::MsMs 158429 Specdb::MsMs 3603464 Specdb::MsMs 3603465 Specdb::MsMs 3603466 Specdb::MsMs 3603467 Specdb::MsMs 3603468 Specdb::MsMs 3603469 Rosemary Type 1 specific Rosmarinus officinalis 39367 1.4 1.4 1.4 mg/100 g