1.0 2010-04-08 22:11:09 UTC 2019-11-26 03:09:41 UTC FDB014223 8,10-Hentriacontanedione Constituent of the pollen of Helianthus annuus (sunflower). 8,10-Hentriacontanedione is found in fats and oils. C31H60O2 464.8069 464.459331164 hentriacontane-8,10-dione hentriacontane-8,10-dione CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC InChI=1S/C31H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h3-29H2,1-2H3 AFUNKBMLTPDWPX-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 10.04 ALOGPS logs -7.46 ALOGPS solubility 1.61e-05 g/l ALOGPS logp 12.4 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac hentriacontane-8,10-dione ChemAxon average_mass 464.8069 ChemAxon mono_mass 464.459331164 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCC ChemAxon formula C31H60O2 ChemAxon inchi InChI=1S/C31H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h3-29H2,1-2H3 ChemAxon inchikey AFUNKBMLTPDWPX-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 145.77 ChemAxon polarizability 64.34 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9413 Specdb::CMs 146028 Specdb::MsMs 94869 Specdb::MsMs 94870 Specdb::MsMs 94871 Specdb::MsMs 159000 Specdb::MsMs 159001 Specdb::MsMs 159002 Specdb::MsMs 2397243 Specdb::MsMs 2397244 Specdb::MsMs 2397245 Specdb::MsMs 2541020 Specdb::MsMs 2541021 Specdb::MsMs 2541022 HMDB35531 #<Reference:0x000055ce315aa4d8> Fats and oils Unknown generic