{"ymdb_id":"YMDB15998","created_at":"2016-08-03T23:51:33.000Z","updated_at":"2016-09-10T00:52:08.000Z","name":"Ethyl 3-hydroxytridecanoate","cas":null,"state":null,"melting_point":null,"description":"Ethyl 3-hydroxytridecanoate belongs to the family of Fatty Alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl 3-hydroxytridecanoate","traditional_iupac":"ethyl 3-hydroxytridecanoate","logp":"4.194767726333334","pka":null,"alogps_solubility":"1.59e-02 g/l","alogps_logp":"4.81","alogps_logs":"-4.21","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"13","polar_surface_area":"46.53","refractivity":"74.31379999999999","polarizability":"32.835680079021245","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.798750574858418","pka_strongest_acidic":"15.000112997580207","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}