{"ymdb_id":"YMDB01759","created_at":"2011-08-31T03:42:46.000Z","updated_at":"2016-09-08T18:37:05.000Z","name":"N-Hexanal","cas":"66-25-1","state":"Liquid","melting_point":"-56 oC","description":"Hexanal (caproic aldehyde) is an alkyl aldehyde with a fruity flavor. Its scent resembles freshly cut grass.","experimental_water_solubility":"5.64 mg/mL at 30 oC [DAVIS,PL (1968)]","experimental_logp_hydrophobicity":"1.78 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"17998","hmdb_id":"HMDB05994","kegg_id":"C02373","pubchem_id":"6184","cs_id":"5949","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"hexanal","traditional_iupac":"hexanal","logp":"1.6522798753333334","pka":null,"alogps_solubility":"4.49e+00 g/l","alogps_logp":"2.37","alogps_logs":"-1.35","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"17.07","refractivity":"30.148199999999996","polarizability":"12.32467328566576","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.944305972130752","pka_strongest_acidic":"17.788839028560098","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(e)-2-Hexanal","(Z)-Hex-3-enal","Caproic aldehyde","Capronaldehyde","e-2-Hexanal","Hexaldehyde","Hexanaldehyde","N-Hexanal"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}