{"ymdb_id":"YMDB01670","created_at":"2011-08-31T03:33:56.000Z","updated_at":"2016-09-08T18:36:58.000Z","name":"Diethyl malonate","cas":"105-53-3","state":"Liquid","melting_point":"-50 oC","description":"Diethyl malonate is a compound responsible for apple-like aromas.","experimental_water_solubility":"23.2 mg/mL at 37 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"0.96 [POMONA (1987)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7761","cs_id":"13863636","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1,3-diethyl propanedioate","traditional_iupac":"diethyl malonate","logp":"0.6742867529999996","pka":null,"alogps_solubility":"2.44e+01 g/l","alogps_logp":"0.93","alogps_logs":"-0.82","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"52.6","refractivity":"38.02320000000001","polarizability":"15.951087561820216","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.846154885175358","pka_strongest_acidic":"12.359424246273893","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["Carbethoxyacetic ester","Dicarbethoxymethane","Diethyl propanedioate","Ethyl malonate","Malonic acid, diethyl ester","Malonic ester","Methanedicarboxylic acid, diethyl ester","Propanedioic acid, diethyl ester"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}