{"ymdb_id":"YMDB16067","created_at":"2016-08-03T23:52:41.000Z","updated_at":"2016-09-10T00:52:16.000Z","name":"P-tert-Butylcyclohexanone","cas":null,"state":null,"melting_point":null,"description":"p-tert-Butylcyclohexanone belongs to the family of Ketones. These are organic compounds  in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).","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":"4-tert-butylcyclohexan-1-one","traditional_iupac":"4-tert-butylcyclohexan-1-one","logp":"2.806848242333333","pka":null,"alogps_solubility":"3.44e-01 g/l","alogps_logp":"3.14","alogps_logs":"-2.65","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"46.4207","polarizability":"18.700165352825927","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.347358669408928","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","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":[]}