{"ymdb_id":"YMDB01363","created_at":"2011-07-25T20:22:40.000Z","updated_at":"2016-09-08T18:36:35.000Z","name":"1-(1-Ethoxyethoxy)-pentane","cas":"13442-89-2","state":null,"melting_point":null,"description":"1-(1-Ethoxyethoxy)-pentane is a volatile compound 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":"77223","cs_id":"102576","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1-ethoxy-1-(pentyloxy)ethane","traditional_iupac":"1-ethoxy-1-(pentyloxy)ethane","logp":"2.5424833869999994","pka":null,"alogps_solubility":"7.06e-01 g/l","alogps_logp":"2.53","alogps_logs":"-2.36","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"7","polar_surface_area":"18.46","refractivity":"46.93100000000001","polarizability":"20.236525594846007","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.012930119755883","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-(1-Ethoxyethoxy)pentane","1-(1-ethoxyethoxy)pentane (acetaldehyde ethylamyl acetal)","4-Methyl-3,50dioxadecane","Acetaldehyde ethyl amyl acetal"],"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":[]}