{"ymdb_id":"YMDB15983","created_at":"2016-08-03T23:50:18.000Z","updated_at":"2016-09-11T18:50:53.000Z","name":"Dehydroxylinalool oxide a","cas":null,"state":null,"melting_point":null,"description":"Dehydroxylinalool oxide a belongs to the class of organic compounds 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)-2-ethenyl-2,6,6-trimethyloxane","traditional_iupac":"(2R)-2-ethenyl-2,6,6-trimethyloxane","logp":"2.743660821333333","pka":null,"alogps_solubility":"1.96e-02 g/l","alogps_logp":"3.35","alogps_logs":"-3.89","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"9.23","refractivity":"47.6826","polarizability":"18.663256536585052","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.231371308798424","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":[]}