{"ymdb_id":"YMDB01710","created_at":"2011-08-31T03:38:31.000Z","updated_at":"2016-09-08T18:37:01.000Z","name":"Hexyl hexanoate","cas":"6378-65-0","state":"Liquid","melting_point":"-55 oC","description":"Hexyl hexanoate is a compound responsible for apple-peel like 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":"10886","cs_id":"21430","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"hexyl hexanoate","traditional_iupac":"hexanoic acid, hexyl ester","logp":"4.169826528333333","pka":null,"alogps_solubility":"1.21e-02 g/l","alogps_logp":"4.71","alogps_logs":"-4.22","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"10","polar_surface_area":"26.3","refractivity":"58.918299999999995","polarizability":"25.673895784044454","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032727861307893","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":["Hexanoic acid, hexyl ester","Hexyl caproate","Hexyl hexoate","hexyl n-hexanoate","n-Hexyl caproate","n-Hexyl hexanoate","n-Hexyl n-hexanoate"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}