1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:04 UTC FDB015699 Pregeijerene Constituent 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-cyclodecatriene Pregeijerene C12H18 162.2713 162.140850576 (1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene (1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene C\C1=C\CC\C(C)=C/C=C\CC1 InChI=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 hydrocarbons Organic compounds Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Aliphatic homomonocyclic compounds Cyclic olefins Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Cyclic olefin Olefin Unsaturated aliphatic hydrocarbon logp 4.96 ALOGPS logs -3.31 ALOGPS solubility 7.96e-02 g/l ALOGPS logp 3.85 ChemAxon iupac (1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene ChemAxon average_mass 162.2713 ChemAxon mono_mass 162.140850576 ChemAxon smiles C\C1=C\CC\C(C)=C/C=C\CC1 ChemAxon formula C12H18 ChemAxon inchi InChI=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- ChemAxon inchikey ACTKFDMFHYIKRY-MBDGBGPPSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 57.92 ChemAxon polarizability 20.19 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20063 Specdb::CMs 133343 Specdb::CMs 141077 Specdb::MsMs 85554 Specdb::MsMs 85555 Specdb::MsMs 85556 Specdb::MsMs 147669 Specdb::MsMs 147670 Specdb::MsMs 147671 Specdb::MsMs 2704040 Specdb::MsMs 2704041 Specdb::MsMs 2704042 Specdb::MsMs 3001762 Specdb::MsMs 3001763 Specdb::MsMs 3001764 HMDB36759 #<Reference:0x000055ce2e8cc6c8> Anise Type 1 specific Pimpinella anisum 271192 Fruits Unknown generic Herbs and Spices Unknown generic