1.0 2010-04-08 22:05:33 UTC 2019-11-26 02:58:02 UTC FDB002843 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne Isolated from roots of Tanacetum vulgare (tansy). 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne is found in herbs and spices. 1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne C16H16O2 240.297 240.115029756 (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-yl acetate (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-yl acetate 6581-87-9 CC#CC#CC#C\C=C\C=C\CCCOC(C)=O InChI=1S/C16H16O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h9-12H,13-15H2,1-2H3/b10-9+,12-11+ CWMYRIMGSBQMJG-HULFFUFUSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.52 ALOGPS logs -4.50 ALOGPS solubility 7.55e-03 g/l ALOGPS melting_point Mp 36-37° (31.5°) logp 3.72 ChemAxon pka_strongest_basic -7 ChemAxon iupac (4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-yl acetate ChemAxon average_mass 240.297 ChemAxon mono_mass 240.115029756 ChemAxon smiles CC#CC#CC#C\C=C\C=C\CCCOC(C)=O ChemAxon formula C16H16O2 ChemAxon inchi InChI=1S/C16H16O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h9-12H,13-15H2,1-2H3/b10-9+,12-11+ ChemAxon inchikey CWMYRIMGSBQMJG-HULFFUFUSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 77.61 ChemAxon polarizability 29.75 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19177 Specdb::CMs 147768 Specdb::MsMs 92442 Specdb::MsMs 92443 Specdb::MsMs 92444 Specdb::MsMs 156060 Specdb::MsMs 156061 Specdb::MsMs 156062 Specdb::MsMs 2350255 Specdb::MsMs 2350256 Specdb::MsMs 2350257 Specdb::MsMs 2587954 Specdb::MsMs 2587955 Specdb::MsMs 2587956 HMDB30881 #<Reference:0x000055ce30e76860> Herbs and Spices Unknown generic