1.0 2010-04-08 22:11:10 UTC 2019-11-26 03:09:44 UTC FDB014257 4,6-Tricosanedione Constituent of the pollen of Helianthus annuus (sunflower). 4,6-Tricosanedione is found in fats and oils. C23H44O2 352.5943 352.334130652 tricosane-4,6-dione tricosane-4,6-dione CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h3-21H2,1-2H3 OSWNBDSFXXEWTJ-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 8.42 ALOGPS logs -6.93 ALOGPS solubility 4.18e-05 g/l ALOGPS logp 8.84 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac tricosane-4,6-dione ChemAxon average_mass 352.5943 ChemAxon mono_mass 352.334130652 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC ChemAxon formula C23H44O2 ChemAxon inchi InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h3-21H2,1-2H3 ChemAxon inchikey OSWNBDSFXXEWTJ-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 108.96 ChemAxon polarizability 47.59 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13072 Specdb::CMs 131486 Specdb::CMs 139220 Specdb::MsMs 43719 Specdb::MsMs 43720 Specdb::MsMs 43721 Specdb::MsMs 127662 Specdb::MsMs 127663 Specdb::MsMs 127664 Specdb::MsMs 2679756 Specdb::MsMs 2679757 Specdb::MsMs 2679758 Specdb::MsMs 3026433 Specdb::MsMs 3026434 Specdb::MsMs 3026435 HMDB35565 #<Reference:0x000055ce30608980> Fats and oils Unknown generic