{"ymdb_id":"YMDB01348","created_at":"2011-07-25T20:20:42.000Z","updated_at":"2016-09-08T18:36:34.000Z","name":"4-Methyl-1-pentanol","cas":"626-89-1","state":"Solid","melting_point":null,"description":"4-Methyl-1-pentanol is a branched chain primary alcohol found in wine and produced during fermentation.","experimental_water_solubility":"7.6 mg/mL at 25 oC [BARTON,AFM (1984)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7745","cs_id":"11793","foodb_id":null,"wikipedia_link":"4-Methyl-1-pentanol","biocyc_id":null,"iupac":"4-methylpentan-1-ol","traditional_iupac":"4-methyl-1-pentanol","logp":"1.536909707333333","pka":null,"alogps_solubility":"1.07e+01 g/l","alogps_logp":"1.84","alogps_logs":"-0.98","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"20.23","refractivity":"31.284499999999998","polarizability":"13.05218539706355","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.017724369378791","pka_strongest_acidic":"16.785723892595357","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Pentanol, 4-methyl-","2-Methyl-5-pentanol","4-Methylpentan-1-ol","4-methylpentanol","iso-Hexanol","Isohexanol","Isohexyl alcohol","Pentanol, 4-methyl-"],"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":[]}