{"ymdb_id":"YMDB01801","created_at":"2011-08-31T03:47:02.000Z","updated_at":"2016-09-08T18:37:09.000Z","name":"Undecanol","cas":"112-42-5","state":"Liquid","melting_point":"19 oC","description":"Undecanol is a fatty alcohol responsible for mandarin orange-like aromas.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":"HMDB13113","kegg_id":"C13823","pubchem_id":"957","cs_id":"7892","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"undecan-1-ol","traditional_iupac":"undecanol","logp":"3.9173026009999994","pka":null,"alogps_solubility":"1.15e-02 g/l","alogps_logp":"4.83","alogps_logs":"-4.18","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"9","polar_surface_area":"20.23","refractivity":"54.341899999999995","polarizability":"23.738835840634056","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.9922594096606376","pka_strongest_acidic":"16.84394282199214","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hendecanol","1-Undecanol","1-Undecyl alcohol","11-Undecanolactone","Alcohol c-11","Alcohol C11","Decyl carbinol","Dlcohol c-11 undecylic","Fatty alcohol(C11)","Hendecanoic alcohol","Hendecanol","Hendecyl alcohol","N-hendecylenic alcohol","n-Undecan-1-ol","N-undecanol","N-undecyl alcohol","Neodol 1","Neoflex 11","Pri-n-undecyl alcohol","Tip-nip","UMQ","UNA","Undecan-1-ol","Undecanol-(1)","undecyl Alcohol"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}