1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:19 UTC FDB010933 5-Phenyl-1,3-pentadiyne Isolated from roots of Artemisia dracunculus (tarragon). 5-Phenyl-1,3-pentadiyne is found in herbs and spices. 2,4-Pentadiynylbenzene, 9CI Benzyldiacetylene C11H8 140.1812 140.062600256 penta-2,4-diyn-1-ylbenzene penta-2,4-diyn-1-ylbenzene 41268-41-1 C#CC#CCC1=CC=CC=C1 InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,8H2 ZZGANZXITREHOP-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Acetylenes Acetylides Aromatic hydrocarbons Acetylene Acetylide Aromatic homomonocyclic compound Aromatic hydrocarbon Hydrocarbon Monocyclic benzene moiety Unsaturated hydrocarbon benzenes logp 3.47 ALOGPS logs -4.03 ALOGPS solubility 1.31e-02 g/l ALOGPS logp 3.04 ChemAxon iupac penta-2,4-diyn-1-ylbenzene ChemAxon average_mass 140.1812 ChemAxon mono_mass 140.062600256 ChemAxon smiles C#CC#CCC1=CC=CC=C1 ChemAxon formula C11H8 ChemAxon inchi InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,8H2 ChemAxon inchikey ZZGANZXITREHOP-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 47.33 ChemAxon polarizability 16.25 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19029 Specdb::CMs 150226 Specdb::MsMs 10835 Specdb::MsMs 10836 Specdb::MsMs 10837 Specdb::MsMs 17507 Specdb::MsMs 17508 Specdb::MsMs 17509 Specdb::MsMs 2437786 Specdb::MsMs 2437787 Specdb::MsMs 2437788 Specdb::MsMs 2527863 Specdb::MsMs 2527864 Specdb::MsMs 2527865 HMDB32948 #<Reference:0x000055ce319d4b08> Herbs and Spices Unknown generic