1.0 2010-04-08 22:09:45 UTC 2025-11-18 23:29:58 UTC FDB011658 (E)-1,11-Tridecadiene-3,5,7,9-tetrayne Trace constituent of roots Triticum aestivum (wheat). Isolated from Carthamus tinctorius (safflower). (E)-1,11-Tridecadiene-3,5,7,9-tetrayne is found in many foods, some of which are herbs and spices, safflower, wheat, and fats and oils. C13H8 164.2026 164.062600256 (11Z)-trideca-1,11-dien-3,5,7,9-tetrayne (11Z)-trideca-1,11-dien-3,5,7,9-tetrayne 26130-86-9 C\C=C/C#CC#CC#CC#CC=C InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4- KBEMPFYJJCTZIG-XQRVVYSFSA-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 4.43 ALOGPS logs -4.30 ALOGPS solubility 8.31e-03 g/l ALOGPS logp 3.92 ChemAxon iupac (11Z)-trideca-1,11-dien-3,5,7,9-tetrayne ChemAxon average_mass 164.2026 ChemAxon mono_mass 164.062600256 ChemAxon smiles C\C=C/C#CC#CC#CC#CC=C ChemAxon formula C13H8 ChemAxon inchi InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4- ChemAxon inchikey KBEMPFYJJCTZIG-XQRVVYSFSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 60.22 ChemAxon polarizability 20.37 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10332 Specdb::CMs 165913 Specdb::MsMs 52572 Specdb::MsMs 52573 Specdb::MsMs 52574 Specdb::MsMs 111357 Specdb::MsMs 111358 Specdb::MsMs 111359 Specdb::MsMs 2834112 Specdb::MsMs 2834113 Specdb::MsMs 2834114 Specdb::MsMs 2871683 Specdb::MsMs 2871684 Specdb::MsMs 2871685 HMDB0033582 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic Herbs and Spices Unknown generic Safflower Type 1 specific Carthamus tinctorius 4222 Wheat Type 1 specific Triticum 4564