{"ymdb_id":"YMDB16060","created_at":"2016-08-03T23:52:35.000Z","updated_at":"2016-09-11T18:51:01.000Z","name":"Octen-3-ol","cas":null,"state":null,"melting_point":null,"description":"Octen-3-ol belongs to the class of chemical entities known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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":"oct-1-en-3-ol","traditional_iupac":"1-octen-3-ol","logp":"2.4854761693333334","pka":null,"alogps_solubility":"1.31e+00 g/l","alogps_logp":"2.43","alogps_logs":"-1.99","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"20.23","refractivity":"40.1698","polarizability":"16.372748390837245","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.7107061937896155","pka_strongest_acidic":"17.487640160517568","bioavailability":"1","number_of_rings":"0","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":[]}