{"ymdb_id":"YMDB01341","created_at":"2011-07-25T20:19:50.000Z","updated_at":"2016-09-08T18:36:33.000Z","name":"3,3-Dimethyl-2-butanol","cas":"464-07-3","state":null,"melting_point":null,"description":"3,3-Dimethyl-2-butanol is a branched chain primary alcohol found in wine and produced during fermentation.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"10045","cs_id":"9650","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3,3-dimethylbutan-2-ol","traditional_iupac":"3,3-dimethyl-2-butanol","logp":"1.5203019819999999","pka":null,"alogps_solubility":"2.38e+01 g/l","alogps_logp":"1.75","alogps_logs":"-0.63","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"30.822400000000002","polarizability":"12.652048700318383","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.1797604209823103","pka_strongest_acidic":"18.701507953858457","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(CH3)3CCH(CH3)OH","2-Butanol, 3, 3-dimethyl-","2,2-Dimethyl-3-butanol","3, 3-Dimethyl-2-butanol","3,3-dimethylbutan-2-ol","3,3-Dimethylbutane-2-ol","Pinacolyl alcohol","Pinacolyl alcohol-tert-butyl methylcarbinol","tert-Butyl Methyl carbinol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}