1.0 2010-04-08 22:10:54 UTC 2019-11-26 03:09:03 UTC FDB013790 Isodigeranyl Isolated from bergamot oil. Isodigeranyl is found in citrus. 2,6,9,13-Tetramethyl-9-vinyl-2,6,12-tetradecatriene, 8CI 9-Ethenyl-2,6,9,13-tetramethyl-2,6,12-tetradecatriene, 9CI C20H34 274.484 274.266051088 (6E)-9-ethenyl-2,6,9,13-tetramethyltetradeca-2,6,12-triene (6E)-9-ethenyl-2,6,9,13-tetramethyltetradeca-2,6,12-triene 5981-30-6 CC(C)=CCC\C(C)=C\CC(C)(CCC=C(C)C)C=C InChI=1S/C20H34/c1-8-20(7,15-10-12-18(4)5)16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+ MFGOTAHWOBKNNU-XMHGGMMESA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Alkatetraenes Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic monoterpenoid Acyclic olefin Aliphatic acyclic compound Alkatetraene Branched unsaturated hydrocarbon Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 7.01 ALOGPS logs -5.77 ALOGPS solubility 4.69e-04 g/l ALOGPS logp 7.06 ChemAxon iupac (6E)-9-ethenyl-2,6,9,13-tetramethyltetradeca-2,6,12-triene ChemAxon average_mass 274.484 ChemAxon mono_mass 274.266051088 ChemAxon smiles CC(C)=CCC\C(C)=C\CC(C)(CCC=C(C)C)C=C ChemAxon formula C20H34 ChemAxon inchi InChI=1S/C20H34/c1-8-20(7,15-10-12-18(4)5)16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+ ChemAxon inchikey MFGOTAHWOBKNNU-XMHGGMMESA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 96.08 ChemAxon polarizability 36.4 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23044 Specdb::CMs 148577 Specdb::MsMs 82077 Specdb::MsMs 82078 Specdb::MsMs 82079 Specdb::MsMs 143337 Specdb::MsMs 143338 Specdb::MsMs 143339 Specdb::MsMs 2737834 Specdb::MsMs 2737835 Specdb::MsMs 2737836 Specdb::MsMs 2970579 Specdb::MsMs 2970580 Specdb::MsMs 2970581 HMDB35153 #<Reference:0x000055ce31e2d010> Citrus Unknown generic