{"ymdb_id":"YMDB16003","created_at":"2016-08-03T23:51:39.000Z","updated_at":"2016-09-12T20:54:07.000Z","name":"Ethyl isovalerate","cas":null,"state":"Liquid","melting_point":null,"description":"Ethyl isovalerate belongs to the class of chemical entities known as 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":"ethyl 3-methylbutanoate","traditional_iupac":"ethyl isovalerate","logp":"1.711479904666667","pka":null,"alogps_solubility":"4.05e+00 g/l","alogps_logp":"2.21","alogps_logs":"-1.51","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"26.3","refractivity":"35.9379","polarizability":"14.988390619437101","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.034971502639082","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","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":[]}