{"ymdb_id":"YMDB01580","created_at":"2011-08-31T03:24:45.000Z","updated_at":"2016-09-08T18:36:51.000Z","name":"1,5-Dodecanolide","cas":"35221-79-5","state":null,"melting_point":null,"description":"1,5-Dodecanolide is a volatile compound responsible for apple-like or banana-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":"12810","cs_id":"12314","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"6-heptyloxan-2-one","traditional_iupac":"delta-dodecalactone","logp":"3.756060715333333","pka":null,"alogps_solubility":"1.88e-02 g/l","alogps_logp":"4.34","alogps_logs":"-4.02","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"26.3","refractivity":"56.856899999999996","polarizability":"24.5851839887846","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.041514923717076","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["(+/-)-5-dodecanolide","(+/-)-6-heptyltetrahydro-2H-pyran-2-one","(+/-)-delta-heptyl-delta-valerolactone","5-Dodecalactone","5-Hydroxydodecanoic acid delta-lactone","5-Hydroxydodecanoic acid lactone","6-heptyltetrahydro-2H-Pyran-2-one","delta-Dodecanolactone","delta-Heptyl-delta-valerolactone","Dodecan-5-olide","Dodecanoic acid, 5-hydroxy-, delta-lactone","Dodecanolide-1,5","N-Heptyl-delta-valerolactone"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}