1.0 2010-04-08 22:11:10 UTC 2019-11-26 03:09:44 UTC FDB014265 5,7-Icosanedione Constituent of the pollen of Helianthus annuus (sunflower). 5,7-Icosanedione is found in fats and oils. 5,7-Icosanedione C20H38O2 310.5145 310.28718046 icosane-5,7-dione icosane-5,7-dione CCCCCCCCCCCCCC(=O)CC(=O)CCCC InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3 CJHBQGYRPYRMEB-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 7.11 ALOGPS logs -6.37 ALOGPS solubility 1.33e-04 g/l ALOGPS logp 7.51 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac icosane-5,7-dione ChemAxon average_mass 310.5145 ChemAxon mono_mass 310.28718046 ChemAxon smiles CCCCCCCCCCCCCC(=O)CC(=O)CCCC ChemAxon formula C20H38O2 ChemAxon inchi InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3 ChemAxon inchikey CJHBQGYRPYRMEB-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 95.16 ChemAxon polarizability 41.03 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23572 Specdb::CMs 150707 Specdb::MsMs 105534 Specdb::MsMs 105535 Specdb::MsMs 105536 Specdb::MsMs 172041 Specdb::MsMs 172042 Specdb::MsMs 172043 Specdb::MsMs 2711120 Specdb::MsMs 2711121 Specdb::MsMs 2711122 Specdb::MsMs 2997596 Specdb::MsMs 2997597 Specdb::MsMs 2997598 HMDB35573 #<Reference:0x000055ce321bcd98> Fats and oils Unknown generic