1.0 2010-04-08 22:11:09 UTC 2019-11-26 03:09:41 UTC FDB014228 10,12-Nonacosanedione Constituent of the pollen of Helianthus annuus (sunflower). 10,12-Nonacosanedione is found in fats and oils. C29H56O2 436.7537 436.428031036 nonacosane-10,12-dione nonacosane-10,12-dione CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC InChI=1S/C29H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-29(31)27-28(30)25-23-21-19-10-8-6-4-2/h3-27H2,1-2H3 AURUSSOGYWEKTO-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 9.70 ALOGPS logs -7.38 ALOGPS solubility 1.84e-05 g/l ALOGPS logp 11.51 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac nonacosane-10,12-dione ChemAxon average_mass 436.7537 ChemAxon mono_mass 436.428031036 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC ChemAxon formula C29H56O2 ChemAxon inchi InChI=1S/C29H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-29(31)27-28(30)25-23-21-19-10-8-6-4-2/h3-27H2,1-2H3 ChemAxon inchikey AURUSSOGYWEKTO-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 136.57 ChemAxon polarizability 60.05 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23680 Specdb::CMs 163911 Specdb::MsMs 51831 Specdb::MsMs 51832 Specdb::MsMs 51833 Specdb::MsMs 132750 Specdb::MsMs 132751 Specdb::MsMs 132752 Specdb::MsMs 2417464 Specdb::MsMs 2417465 Specdb::MsMs 2417466 Specdb::MsMs 2547802 Specdb::MsMs 2547803 Specdb::MsMs 2547804 HMDB35536 #<Reference:0x000055ce30eb32b0> Fats and oils Unknown generic