{"ymdb_id":"YMDB15945","created_at":"2016-08-03T23:49:31.000Z","updated_at":"2016-09-10T00:52:00.000Z","name":"3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-","cas":null,"state":null,"melting_point":null,"description":"3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl- belongs to the family of Cycloalkenes. These are compounds containing a non-aromatic closed ring of carbon atoms in which at least 2 atoms are connected by a double bond","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":"1,3,4-trimethylcyclohex-3-ene-1-carbaldehyde","traditional_iupac":"1,3,4-trimethylcyclohex-3-ene-1-carbaldehyde","logp":"2.4123554396666664","pka":null,"alogps_solubility":"1.97e+00 g/l","alogps_logp":"2.31","alogps_logs":"-1.89","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"47.1021","polarizability":"18.201016707147545","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.097864053198037","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","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":[]}