{"ymdb_id":"YMDB15932","created_at":"2016-08-03T23:49:12.000Z","updated_at":"2016-09-10T00:52:18.000Z","name":"2-Hexanoylfuran","cas":null,"state":null,"melting_point":null,"description":"2-Hexanoylfuran, or pentyl 2-furyl ketone is used as a food additive [EAFUS] (\"EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]\"). Pentyl 2-furyl ketone 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":"1-(furan-2-yl)hexan-1-one","traditional_iupac":"1-(furan-2-yl)hexan-1-one","logp":"2.6253818206666666","pka":null,"alogps_solubility":"1.16e-01 g/l","alogps_logp":"2.97","alogps_logs":"-3.16","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"30.21","refractivity":"47.281600000000005","polarizability":"18.903973989155375","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.1791298485089445","pka_strongest_acidic":"15.423220205181334","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","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":[]}