1.0 2010-04-08 22:08:17 UTC 2019-11-26 03:03:19 UTC FDB008847 (S)-25-Hydroxy-14,16-hentriacontanedione Constituent of the leaf wax of durum wheat. (S)-25-Hydroxy-14,16-hentriacontanedione is found in cereals and cereal products. C31H60O3 480.8063 480.454245786 25-hydroxyhentriacontane-14,16-dione 25-hydroxyhentriacontane-14,16-dione 33256-70-1 CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(O)CCCCCC InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-18-22-26-30(33)28-31(34)27-23-19-16-15-17-21-25-29(32)24-20-8-6-4-2/h29,32H,3-28H2,1-2H3 MBWYKVFQDJGFDD-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Beta-diketones Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 1,3-dicarbonyl compound 1,3-diketone Alcohol Aliphatic acyclic compound Carbonyl group Fatty alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 9.26 ALOGPS logs -7.18 ALOGPS solubility 3.21e-05 g/l ALOGPS logp 11.01 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 25-hydroxyhentriacontane-14,16-dione ChemAxon average_mass 480.8063 ChemAxon mono_mass 480.454245786 ChemAxon smiles CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(O)CCCCCC ChemAxon formula C31H60O3 ChemAxon inchi InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-18-22-26-30(33)28-31(34)27-23-19-16-15-17-21-25-29(32)24-20-8-6-4-2/h29,32H,3-28H2,1-2H3 ChemAxon inchikey MBWYKVFQDJGFDD-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 147.44 ChemAxon polarizability 65.01 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25267 Specdb::CMs 42759 Specdb::CMs 133148 Specdb::CMs 140882 Specdb::MsMs 56910 Specdb::MsMs 56911 Specdb::MsMs 56912 Specdb::MsMs 112443 Specdb::MsMs 112444 Specdb::MsMs 112445 Specdb::MsMs 2685033 Specdb::MsMs 2685034 Specdb::MsMs 2685035 Specdb::MsMs 3023313 Specdb::MsMs 3023314 Specdb::MsMs 3023315 HMDB32125 #<Reference:0x000055ce31d62770> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic