1.02010-04-08 22:12:00 UTC2019-11-26 03:12:04 UTCFDB015699PregeijereneConstituent of Ruta graveolens (rue) and Rubus rosifolius (Mauritius raspberry). Pregeijerene is found in herbs and spices, fruits, and anise.1,7-Dimethyl-1,3,7-cyclodecatrienePregeijereneC12H18162.2713162.140850576(1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene(1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-trieneC\C1=C\CC\C(C)=C/C=C\CC1InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3-,11-7-,12-10-ACTKFDMFHYIKRY-MBDGBGPPSA-N belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.Branched unsaturated hydrocarbonsOrganic compoundsHydrocarbonsUnsaturated hydrocarbonsBranched unsaturated hydrocarbonsAliphatic homomonocyclic compoundsCyclic olefinsUnsaturated aliphatic hydrocarbonsAliphatic homomonocyclic compoundBranched unsaturated hydrocarbonCyclic olefinOlefinUnsaturated aliphatic hydrocarbonlogp4.96logs-3.31solubility7.96e-02 g/llogp3.85iupac(1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-trieneaverage_mass162.2713mono_mass162.140850576smilesC\C1=C\CC\C(C)=C/C=C\CC1formulaC12H18inchiInChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3-,11-7-,12-10-inchikeyACTKFDMFHYIKRY-MBDGBGPPSA-Npolar_surface_area0refractivity57.92polarizability20.19rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs20063Specdb::CMs133343Specdb::CMs141077Specdb::MsMs85554Specdb::MsMs85555Specdb::MsMs85556Specdb::MsMs147669Specdb::MsMs147670Specdb::MsMs147671Specdb::MsMs2704040Specdb::MsMs2704041Specdb::MsMs2704042Specdb::MsMs3001762Specdb::MsMs3001763Specdb::MsMs3001764HMDB36759#<Reference:0x0000555675884110>AniseType 1specificPimpinella anisum271192FruitsUnknowngenericHerbs and SpicesUnknowngeneric