1.0 2011-09-26 22:54:09 UTC 2025-11-19 02:58:25 UTC FDB029677 trans-4-thujanol Flavouring compound [Flavornet] C10H18O 154.253 154.1357652 (1R,2S,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol (1R,2S,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol 17699-16-0 CC(C)[C@]12C[C@H]1[C@@](C)(O)CC2 InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1 KXSDPILWMGFJMM-GUBZILKMSA-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 Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Bicyclic monoterpenoid Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol Thujane monoterpenoid logp 2.12 ALOGPS logs -2.28 ALOGPS solubility 8.10e-01 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_acidic 19.13 ChemAxon pka_strongest_basic -0.99 ChemAxon iupac (1R,2S,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol ChemAxon average_mass 154.253 ChemAxon mono_mass 154.1357652 ChemAxon smiles CC(C)[C@]12C[C@H]1[C@@](C)(O)CC2 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1 ChemAxon inchikey KXSDPILWMGFJMM-GUBZILKMSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 45.55 ChemAxon polarizability 18.62 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5870 Specdb::MsMs 240940 Specdb::MsMs 240941 Specdb::MsMs 240942 Specdb::MsMs 242995 Specdb::MsMs 242996 Specdb::MsMs 242997 Specdb::MsMs 3607147 Specdb::MsMs 3607148 Specdb::MsMs 3607149 Specdb::MsMs 3607150 Specdb::MsMs 3607151 Specdb::MsMs 3607152 Sweet marjoram Type 1 specific Origanum majorana 268884 balsam balsamic wood woody