{"ymdb_id":"YMDB15928","created_at":"2016-08-03T23:49:07.000Z","updated_at":"2016-09-10T00:51:58.000Z","name":"2-Ethyl-5-methylfuran","cas":null,"state":null,"melting_point":null,"description":"2-Ethyl-5-methylfuran is a maillard product. 2-ethyl-5-methylfuran belongs to the family of Furans. These are compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-ethyl-5-methylfuran","traditional_iupac":"1-ethyl-5-methylfuran","logp":"2.0351363773333335","pka":null,"alogps_solubility":"2.68e+00 g/l","alogps_logp":"2.90","alogps_logs":"-1.61","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"13.14","refractivity":"33.394800000000004","polarizability":"13.041231391276314","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.2050935833545626","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}