1.0 2010-04-08 22:07:22 UTC 2025-11-18 23:03:04 UTC FDB006920 beta-Thujene Beta-thujene, also known as β-thujene, 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. Beta-thujene can be found in rosemary, which makes beta-thujene a potential biomarker for the consumption of this food product. C10H16 136.234 136.125200512 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hex-2-ene thujene CC(C)C12CC1C(C)C=C2 InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3 GJYKUZUTZNTBEC-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 olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Bicyclic monoterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Thujane monoterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 3.38 ALOGPS logs -4.29 ALOGPS solubility 6.98e-03 g/l ALOGPS logp 2.85 ChemAxon iupac 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hex-2-ene ChemAxon average_mass 136.234 ChemAxon mono_mass 136.125200512 ChemAxon smiles CC(C)C12CC1C(C)C=C2 ChemAxon formula C10H16 ChemAxon inchi InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3 ChemAxon inchikey GJYKUZUTZNTBEC-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 44.99 ChemAxon polarizability 17.16 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109011 Specdb::MsMs 109012 Specdb::MsMs 109013 Specdb::MsMs 176364 Specdb::MsMs 176365 Specdb::MsMs 176366 Specdb::MsMs 3603449 Specdb::MsMs 3603450 Specdb::MsMs 3603451 Specdb::MsMs 3603452 Specdb::MsMs 3603453 Specdb::MsMs 3603454 Rosemary Type 1 specific Rosmarinus officinalis 39367