1.0 2016-05-19 04:14:56 UTC 2026-08-18 20:45:33 UTC Dodecanediperoxoic acid SmallMolecule Dodecanediperoxoic acid has the chemical formula C11H17N2NaO3 and an average molecular weight of 248.26 g/mol. Dodecanediperoxoic acid belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This compound is found in or released from four recorded sources. These include building and construction materials, specifically floors, as well as electrical and electronic equipment, such as antennas and television systems. Additionally, it is associated with food, food processing and cookware, specifically in the preparation of wort. C11H17N2NaO3 248.258 248.1136867 sodium 5-ethyl-6-hydroxy-5-(3-methylbutyl)-2-oxo-2,5-dihydropyrimidin-4-olate sodium 5-ethyl-6-hydroxy-5-(3-methylbutyl)-2-oxopyrimidin-4-olate 66280-55-5 [Na+].CCC1(CCC(C)C)C(O)=NC(=O)N=C1[O-] InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1 BNHGKKNINBGEQL-UHFFFAOYSA-M Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Barbituric acid derivatives Azacyclic compounds Carbene-type 1,3-dipolar compounds Carbonyl compounds Diazinanes Dicarboximides Hydrocarbon derivatives N-acyl ureas Organic oxides Organic sodium salts Organonitrogen compounds Organopnictogen compounds 1,3-diazinane Aliphatic heteromonocyclic compound Azacycle Barbiturate Carbene-type 1,3-dipolar compound Carbonic acid derivative Carbonyl group Carboxylic acid derivative Dicarboximide Hydrocarbon derivative N-acyl urea Organic 1,3-dipolar compound Organic alkali metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organonitrogen compound Organooxygen compound Organopnictogen compound Ureide Aliphatic heteromonocyclic compounds Detected and Not Quantified logp 2.9 logp 1.91 ALOGPS logs -3.02 ALOGPS solubility 2.38e-01 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic 1.63 ChemAxon pka_strongest_basic -4 ChemAxon iupac sodium 5-ethyl-6-hydroxy-5-(3-methylbutyl)-2-oxo-2,5-dihydropyrimidin-4-olate ChemAxon average_mass 248.258 ChemAxon mono_mass 248.1136867 ChemAxon smiles [Na+].CCC1(CCC(C)C)C(O)=NC(=O)N=C1[O-] ChemAxon formula C11H17N2NaO3 ChemAxon inchi InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1 ChemAxon inchikey BNHGKKNINBGEQL-UHFFFAOYSA-M ChemAxon polar_surface_area 85.08 ChemAxon refractivity 69.2 ChemAxon polarizability 23.02 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722690e120> 105355 95023