1.0 2010-04-08 22:10:16 UTC 2019-11-26 03:07:15 UTC FDB012634 1,3,11-Tridecatriene-5,7,9-triyne Constituent of Carthamus tinctorius (safflower). 1,3,11-Tridecatriene-5,7,9-triyne is found in burdock, fats and oils, and herbs and spices. 1,3(E),11(E)-Tridecatrien-5,7,9-triyne 3-[p-Methoxyphenyl]-4-chloroquinoline 4-Chloro-3-(4-methoxyphenyl)quinoline C13H10 166.2185 166.07825032 (3E,11Z)-trideca-1,3,11-trien-5,7,9-triyne (3E,11Z)-trideca-1,3,11-trien-5,7,9-triyne 18668-89-8 C\C=C/C#CC#CC#C\C=C\C=C InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5+ KAGUESUDHDXNCN-XGXWUAJZSA-N belongs to the class of organic compounds known as enynes. These are hydrocarbons containing an alkene and an alkyne group. Enynes Organic compounds Hydrocarbons Unsaturated hydrocarbons Enynes Aliphatic acyclic compounds Acyclic acetylenes Acyclic olefins Unsaturated aliphatic hydrocarbons Acetylene Acyclic acetylene Acyclic olefin Aliphatic acyclic compound Enyne Olefin Unsaturated aliphatic hydrocarbon logp 4.45 ALOGPS logs -4.33 ALOGPS solubility 7.80e-03 g/l ALOGPS logp 3.97 ChemAxon iupac (3E,11Z)-trideca-1,3,11-trien-5,7,9-triyne ChemAxon average_mass 166.2185 ChemAxon mono_mass 166.07825032 ChemAxon smiles C\C=C/C#CC#CC#C\C=C\C=C ChemAxon formula C13H10 ChemAxon inchi InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5+ ChemAxon inchikey KAGUESUDHDXNCN-XGXWUAJZSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 61.98 ChemAxon polarizability 20.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24044 Specdb::CMs 157107 Specdb::MsMs 70521 Specdb::MsMs 70522 Specdb::MsMs 70523 Specdb::MsMs 129036 Specdb::MsMs 129037 Specdb::MsMs 129038 Specdb::MsMs 2737846 Specdb::MsMs 2737847 Specdb::MsMs 2737848 Specdb::MsMs 2970507 Specdb::MsMs 2970508 Specdb::MsMs 2970509 HMDB34294 #<Reference:0x000055ce328a8120> Burdock Type 1 specific Arctium lappa 4217 Fats and oils Unknown generic Herbs and Spices Unknown generic