{"ymdb_id":"YMDB01657","created_at":"2011-08-31T03:32:47.000Z","updated_at":"2016-09-08T18:36:57.000Z","name":"Citronellyl acetate","cas":"150-84-5","state":"Solid","melting_point":null,"description":"Citronellyl acetate is a compound responsible for rose petal floral aromas.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C12298","pubchem_id":"9017","cs_id":"8667","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3,7-dimethyloct-6-en-1-yl acetate","traditional_iupac":"citronellyl acetate","logp":"3.193180727666666","pka":null,"alogps_solubility":"6.85e-02 g/l","alogps_logp":"4.13","alogps_logs":"-3.46","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"7","polar_surface_area":"26.3","refractivity":"59.6376","polarizability":"24.403733199020778","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.99383218095138","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":["-Citronellyl acetate","1-Acetoxy-3,7-dimethyloct-6-ene","2-Octen-8-ol, 2, 6-dimethyl-, acetate","2-Octen-8-ol, 2,6-dimethyl-, acetate","3,7-Dimethyl-6-octen-1-yl acetate","3,7-Dimethyl-6-octenyl acetate","6-Octen-1-ol, 3,7-dimethyl-, acetate","ACETATE ION","Acetic acid, 3,7-dimethyl-6-octen-1-yl ester","Acetic acid, citronellyl ester","acetic acid, ion(1-)","Acetic acid, rhodinyl ester","Azetat","beta-Citronellol, acetate","beta-Citronellyl acetate","Cephreine","CH3-COO(-)","Citronellol acetate","CitronellyI acetate","Cytronellyl acetate","Ethanoat","ethanoate","MeCO2 anion","Natural rhodinol, acetylated"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}