{"ymdb_id":"YMDB15961","created_at":"2016-08-03T23:49:52.000Z","updated_at":"2016-09-12T20:54:15.000Z","name":"Acetal","cas":null,"state":"Liquid","melting_point":null,"description":"Acetal belongs to the class of chemical entities known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.","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":"1,1-diethoxyethane","traditional_iupac":"1,1-diethoxyethane","logp":"1.130823662000001","pka":null,"alogps_solubility":"2.74e+01 g/l","alogps_logp":"1.19","alogps_logs":"-0.64","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"18.46","refractivity":"33.205","polarizability":"14.11460916267302","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.011967450020935","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":[]}