{"ymdb_id":"YMDB15907","created_at":"2016-08-03T23:48:40.000Z","updated_at":"2016-09-11T18:50:42.000Z","name":"(e)-Rose oxide","cas":null,"state":null,"melting_point":null,"description":"(e)-Rose oxide belongs to the class of chemical entities known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five 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":"(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane","traditional_iupac":"(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane","logp":"2.6829478226666668","pka":null,"alogps_solubility":null,"alogps_logp":null,"alogps_logs":null,"acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"9.23","refractivity":"48.49150000000001","polarizability":"18.98682098301424","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.172092453567934","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":[]}