1.0 2010-04-08 22:15:13 UTC 2019-11-26 03:19:21 UTC FDB020724 2,4-Heptadecanedione Constituent of Ruta graveolens (rue). 2,4-Heptadecanedione is found in herbs and spices. 2,4-Heptadecadione Heptadecane-2,4-dione Myristoylacetone Tetradecanoylacetone C17H32O2 268.4348 268.240230268 heptadecane-2,4-dione heptadecane-2,4-dione 64042-18-8 CCCCCCCCCCCCCC(=O)CC(C)=O InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3 VZRNDOSIHXJXCH-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 5.86 ALOGPS logs -5.83 ALOGPS solubility 4.02e-04 g/l ALOGPS melting_point Mp 42.5° (39°) logp 5.92 ChemAxon pka_strongest_acidic 8.06 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac heptadecane-2,4-dione ChemAxon average_mass 268.4348 ChemAxon mono_mass 268.240230268 ChemAxon smiles CCCCCCCCCCCCCC(=O)CC(C)=O ChemAxon formula C17H32O2 ChemAxon inchi InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3 ChemAxon inchikey VZRNDOSIHXJXCH-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 81.33 ChemAxon polarizability 35.13 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23582 Specdb::CMs 157279 Specdb::MsMs 318274 Specdb::MsMs 318275 Specdb::MsMs 318276 Specdb::MsMs 364999 Specdb::MsMs 365000 Specdb::MsMs 365001 Specdb::MsMs 2682228 Specdb::MsMs 2682229 Specdb::MsMs 2682230 Specdb::MsMs 3027342 Specdb::MsMs 3027343 Specdb::MsMs 3027344 HMDB40888 #<Reference:0x000055ce322d4528> Herbs and Spices Unknown generic