1.0 2010-04-08 22:11:09 UTC 2019-11-26 03:09:42 UTC FDB014239 6,8-Heptacosanedione Constituent of the pollen of Helianthus annuus (sunflower). 6,8-Heptacosanedione is found in fats and oils. C27H52O2 408.7006 408.396730908 heptacosane-6,8-dione heptacosane-6,8-dione CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC InChI=1S/C27H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h3-25H2,1-2H3 ZWDFZBUKKXMZLB-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 9.38 ALOGPS logs -7.27 ALOGPS solubility 2.21e-05 g/l ALOGPS logp 10.62 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac heptacosane-6,8-dione ChemAxon average_mass 408.7006 ChemAxon mono_mass 408.396730908 ChemAxon smiles CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC ChemAxon formula C27H52O2 ChemAxon inchi InChI=1S/C27H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27(29)25-26(28)23-21-6-4-2/h3-25H2,1-2H3 ChemAxon inchikey ZWDFZBUKKXMZLB-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 127.36 ChemAxon polarizability 55.87 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16451 Specdb::CMs 152748 Specdb::MsMs 86538 Specdb::MsMs 86539 Specdb::MsMs 86540 Specdb::MsMs 148854 Specdb::MsMs 148855 Specdb::MsMs 148856 Specdb::MsMs 2262481 Specdb::MsMs 2262482 Specdb::MsMs 2262483 Specdb::MsMs 3080070 Specdb::MsMs 3080071 Specdb::MsMs 3080072 HMDB35547 #<Reference:0x000055ce3308ce68> Fats and oils Unknown generic