1.0 2010-04-08 22:05:34 UTC 2019-11-26 02:58:05 UTC FDB002888 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne Constituent of Carthamus tinctorius (safflower). 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils and herbs and spices. 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne C18H20O4 300.349 300.136159128 (4E,6E,12Z)-1-(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate (4E,6E,12Z)-1-(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate 29576-66-7 C\C=C/C#CC#C\C=C\C=C\C(CCOC(C)=O)OC(C)=O InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4-,11-10+,13-12+ PGHCYQUSYHWJAI-YSQYCKBNSA-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty alcohol ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 4.02 ALOGPS logs -4.57 ALOGPS solubility 7.99e-03 g/l ALOGPS melting_point Mp 58° logp 2.91 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac (4E,6E,12Z)-1-(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate ChemAxon average_mass 300.349 ChemAxon mono_mass 300.136159128 ChemAxon smiles C\C=C/C#CC#C\C=C\C=C\C(CCOC(C)=O)OC(C)=O ChemAxon formula C18H20O4 ChemAxon inchi InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4-,11-10+,13-12+ ChemAxon inchikey PGHCYQUSYHWJAI-YSQYCKBNSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 89.99 ChemAxon polarizability 34.29 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21108 Specdb::CMs 170691 Specdb::MsMs 108360 Specdb::MsMs 108361 Specdb::MsMs 108362 Specdb::MsMs 175563 Specdb::MsMs 175564 Specdb::MsMs 175565 Specdb::MsMs 2804886 Specdb::MsMs 2804887 Specdb::MsMs 2804888 Specdb::MsMs 2874341 Specdb::MsMs 2874342 Specdb::MsMs 2874343 HMDB30922 #<Reference:0x000055ce31c83980> Fats and oils Unknown generic Herbs and Spices Unknown generic