{"ymdb_id":"YMDB15904","created_at":"2016-08-03T23:41:33.000Z","updated_at":"2016-09-11T18:50:41.000Z","name":"(e)-Linalool oxide","cas":null,"state":null,"melting_point":null,"description":"(e)-Linalool oxide belongs to the class of chemical entities known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen 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":"2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol","traditional_iupac":"2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol","logp":"1.6687572143333338","pka":null,"alogps_solubility":"1.50e+00 g/l","alogps_logp":"1.51","alogps_logs":"-2.05","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"29.46","refractivity":"49.0441","polarizability":"19.523255352320202","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.0942487138516057","pka_strongest_acidic":"14.32453426188476","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":[]}