{"ymdb_id":"YMDB01748","created_at":"2011-08-31T03:41:47.000Z","updated_at":"2016-09-08T18:37:04.000Z","name":"Methyl-2-methylpropanoate","cas":"547-63-7","state":"Liquid","melting_point":"-84.7 oC","description":"Methyl-2-methylpropanoate is a compound responsible for light floral aromas.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"11039","cs_id":"10571","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"methyl 2-methylpropanoate","traditional_iupac":"methyl isobutyrate","logp":"1.166070467","pka":null,"alogps_solubility":"3.46e+01 g/l","alogps_logp":"1.20","alogps_logs":"-0.47","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"26.3","refractivity":"26.614200000000004","polarizability":"11.18629993171118","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.056749764182117","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":["(CH3)2CHC(O)OCH3","Isobutyric acid, methyl ester","Methyl 2-methylpropanoate","Methyl 2-methylpropionate","Methyl isobutanoate","Methyl isobutyrate","methyl methylpropanoate","Methylester kyseliny isomaselne","Propanoic acid, 2-methyl-, methyl ester"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}