{"ymdb_id":"YMDB15985","created_at":"2016-08-03T23:51:22.000Z","updated_at":"2016-09-10T00:52:07.000Z","name":"Diethyl methylsuccinate","cas":null,"state":null,"melting_point":null,"description":"Diethyl methylsuccinate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1,4-diethyl 2-methylbutanedioate","traditional_iupac":"1,4-diethyl 2-methylbutanedioate","logp":"1.1499073323333342","pka":null,"alogps_solubility":"1.12e+01 g/l","alogps_logp":"1.66","alogps_logs":"-1.23","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"7","polar_surface_area":"52.60000000000001","refractivity":"47.14690000000001","polarizability":"20.130305152655232","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.755972592542505","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}