{"ymdb_id":"YMDB01745","created_at":"2011-08-31T03:41:30.000Z","updated_at":"2016-09-08T18:37:04.000Z","name":"Methyl nonanoate","cas":"1731-84-6","state":"Solid","melting_point":null,"description":"Methyl nonanoate is a compound responsible for coconut aromas.","experimental_water_solubility":"0.0229 mg/mL at 25 oC [WASIK,SP et al. (1981)]","experimental_logp_hydrophobicity":"4.32 [TEWARI,YB ET AL. (1982)]","location":null,"synthesis_reference":null,"chebi_id":"32361","hmdb_id":null,"kegg_id":null,"pubchem_id":"8050","cs_id":"14846","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"methyl nonanoate","traditional_iupac":"methyl nonanoate (ester)","logp":"3.2904961786666655","pka":null,"alogps_solubility":"4.55e-02 g/l","alogps_logp":"3.96","alogps_logs":"-3.58","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"8","polar_surface_area":"26.3","refractivity":"49.6457","polarizability":"21.667003750042227","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.0239806136690355","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-nonanoate","1-octanecarboxylate","Methyl ester nonanoic acid","Methyl n-nonanoate","Methyl nonylate","Methyl pelargonate","n-nonanoate","nonoate","nonylate","pelargate","pelargonate","Pelargonic acid methyl ester","pergonate"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}