{"ymdb_id":"YMDB01718","created_at":"2011-08-31T03:39:14.000Z","updated_at":"2016-09-08T18:37:02.000Z","name":"Isopropanol","cas":"67-63-0","state":"Liquid","melting_point":"-89.5 oC","description":"Isopropanol is an isomer of 1-propanol. This alcohol tends to increase in content during wine aging.","experimental_water_solubility":"1000 mg/mL at 25 oC [RIDDICK,JA et al. (1986)]","experimental_logp_hydrophobicity":"0.05 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"17824","hmdb_id":"HMDB00863","kegg_id":"C01845","pubchem_id":"3776","cs_id":"3644","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"propan-2-ol","traditional_iupac":"isopropyl alcohol","logp":"0.2548059106666668","pka":null,"alogps_solubility":"3.78e+02 g/l","alogps_logp":"0.04","alogps_logs":"0.80","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"17.4287","polarizability":"7.1373816572351085","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.8091447620645766","pka_strongest_acidic":"17.262586277858762","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2 Propanol","2-Propanol","2-Propyl alcohol","Alcohol, isopropyl","Alcohol, rubbing","Alcojel","Alkolave","Avantin","Avantine","Hartosol","Isopro","Isopropanol","Lavaco","Petrohol","Rubbing alcohol","Takineocol"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}