{"ymdb_id":"YMDB15918","created_at":"2016-08-03T23:48:59.000Z","updated_at":"2016-09-11T18:50:44.000Z","name":"1-Penten-3-ol","cas":null,"state":null,"melting_point":null,"description":"1-Penten-3-ol belongs to the class of chemical entities known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","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":"pent-1-en-3-ol","traditional_iupac":"1-penten-3-ol","logp":"1.151770174333333","pka":null,"alogps_solubility":"5.45e+01 g/l","alogps_logp":"1.13","alogps_logs":"-0.20","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"20.23","refractivity":"26.366799999999998","polarizability":"10.176085332011475","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.724550219193559","pka_strongest_acidic":"17.455989439429448","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":[]}