{"ymdb_id":"YMDB01344","created_at":"2011-07-25T20:20:12.000Z","updated_at":"2016-09-08T18:36:34.000Z","name":"2,3,4-Trimethyl-pentane","cas":"565-75-3","state":"Liquid","melting_point":"-109.2 oC","description":"2,3,4-Trimethyl-pentane is a branched chain alkane found in wine.","experimental_water_solubility":"0.0023 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"11269","cs_id":"10795","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2,3,4-trimethylpentane","traditional_iupac":"2,3,4-trimethylpentane","logp":"3.547626516666666","pka":null,"alogps_solubility":"1.21e-02 g/l","alogps_logp":"4.00","alogps_logs":"-3.97","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"0.0","refractivity":"38.452999999999996","polarizability":"15.653977038977857","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2,3,4-Trimethylpentane","Pentane, 2,3,4-trimethyl-"],"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":[]}