1.0 2010-04-08 22:07:22 UTC 2019-11-26 03:01:22 UTC FDB006942 Neothujol Thujyl alcohol, also known as 3-thujol, 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. Thujyl alcohol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Thujyl alcohol has a camphoreous and minty taste. Neothujol C10H18O 154.2493 154.135765198 (1R,3S,4S,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol (1R,3S,4S,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol 21653-20-3 CC(C)C12CC1C(C)C(O)C2 InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3 DZVXRFMREAADPP-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homopolycyclic compound Bicyclic monoterpenoid Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Thujane monoterpenoid logp 1.9 ChemAxon pka_strongest_acidic 18.66 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac (1R,3S,4S,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC(C)C12CC1C(C)C(O)C2 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3 ChemAxon inchikey DZVXRFMREAADPP-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 45.46 ChemAxon polarizability 18.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Rosemary Type 1 specific Rosmarinus officinalis 39367 0.325 0.325 0.325 mg/100 g