1.0 2010-04-08 22:11:10 UTC 2019-11-26 03:09:44 UTC FDB014267 4,6-Nonadecanedione Constituent of the pollen of Helianthus annuus (sunflower). 4,6-Nonadecanedione is found in fats and oils. C19H36O2 296.4879 296.271530396 nonadecane-4,6-dione nonadecane-4,6-dione CCCCCCCCCCCCCC(=O)CC(=O)CCC InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h3-17H2,1-2H3 ASSQAPAKOQZNJP-UHFFFAOYSA-N belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. Beta-diketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Ketones Organic oxides 1,3-diketone Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide logp 6.66 ALOGPS logs -6.17 ALOGPS solubility 2.00e-04 g/l ALOGPS logp 7.06 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac nonadecane-4,6-dione ChemAxon average_mass 296.4879 ChemAxon mono_mass 296.271530396 ChemAxon smiles CCCCCCCCCCCCCC(=O)CC(=O)CCC ChemAxon formula C19H36O2 ChemAxon inchi InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h3-17H2,1-2H3 ChemAxon inchikey ASSQAPAKOQZNJP-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 90.56 ChemAxon polarizability 39 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21003 Specdb::CMs 130701 Specdb::CMs 138435 Specdb::MsMs 80601 Specdb::MsMs 80602 Specdb::MsMs 80603 Specdb::MsMs 141513 Specdb::MsMs 141514 Specdb::MsMs 141515 Specdb::MsMs 2441383 Specdb::MsMs 2441384 Specdb::MsMs 2441385 Specdb::MsMs 2524776 Specdb::MsMs 2524777 Specdb::MsMs 2524778 HMDB35575 #<Reference:0x000055ce33282ce0> Fats and oils Unknown generic