1.0 2010-04-08 22:11:04 UTC 2019-11-26 03:09:29 UTC FDB014075 1-Tridecene-3,5,7,9,11-pentayne Found in leaves, flowers and seeds of numerous subspecies e.g. Valeriana officinalis (valerian) 1-Tridecen-3,5,7,9,11-pentayne 1-Tridecene-3,5,7,9,11-pentyne Tridec-1-ene-3,5,7,9,11-pentayne C13H6 162.1867 162.046950192 tridec-1-en-3,5,7,9,11-pentayne tridec-1-en-3,5,7,9,11-pentayne 81900-91-6 CC#CC#CC#CC#CC#CC=C InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3 KKBHBCOJHHCOCL-UHFFFAOYSA-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 enyne logp 4.54 ALOGPS logs -4.24 ALOGPS solubility 9.43e-03 g/l ALOGPS logp 3.86 ChemAxon iupac tridec-1-en-3,5,7,9,11-pentayne ChemAxon average_mass 162.1867 ChemAxon mono_mass 162.046950192 ChemAxon smiles CC#CC#CC#CC#CC#CC=C ChemAxon formula C13H6 ChemAxon inchi InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3 ChemAxon inchikey KKBHBCOJHHCOCL-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 58.47 ChemAxon polarizability 20.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19980 Specdb::CMs 163391 Specdb::MsMs 102822 Specdb::MsMs 102823 Specdb::MsMs 102824 Specdb::MsMs 168705 Specdb::MsMs 168706 Specdb::MsMs 168707 Specdb::MsMs 2743405 Specdb::MsMs 2743406 Specdb::MsMs 2743407 Specdb::MsMs 2935733 Specdb::MsMs 2935734 Specdb::MsMs 2935735 HMDB35400 #<Reference:0x000055ce31cec930> Black tea Type 1 Burdock Type 1 specific Arctium lappa 4217 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Safflower Type 1 specific Carthamus tinctorius 4222 0.059 0.059 0.059 mg/100 g Tea Type 1 specific Camellia sinensis 4442