{"ymdb_id":"YMDB15921","created_at":"2016-08-03T23:49:01.000Z","updated_at":"2016-09-11T18:50:44.000Z","name":"1,3-Octadiene","cas":null,"state":null,"melting_point":null,"description":"1,3-Octadiene belongs to the class of chemical entities known as alkadienes. These are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds.","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":"(3E)-octa-1,3-diene","traditional_iupac":"(3E)-octa-1,3-diene","logp":"3.3543655796666663","pka":null,"alogps_solubility":"1.69e-02 g/l","alogps_logp":"4.19","alogps_logs":"-3.81","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"0","refractivity":"39.7709","polarizability":"14.999435107931546","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"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":[]}