{"ymdb_id":"YMDB01586","created_at":"2011-08-31T03:25:13.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2-Methoxy-3-isobutylpyrazine","cas":"24683-00-9","state":null,"melting_point":null,"description":"2-Methoxy-3-isobutylpyrazine is a 3-alkyl-2-methoxypyrazine, which are important compounds for the aroma of wines. 2-Methoxy-3-isobutylpyrazine has been related with the green and vegetative aromas characteristic of some wines made with Cabernet Sauvignon, Sauvignon blanc, Merlot or Cabernet Franc grapes. It it is typically found at 15-30 ng/L in these wines. The origin of 3-alkyl-2-methoxypyrazines is mostly endogenous as these compounds are part of the chemicals produced in the first stages of grape development. [PMID: 21227432]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"32594","cs_id":"30208","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methoxy-3-(2-methylpropyl)pyrazine","traditional_iupac":"2-isobutyl-3-methoxypyrazine","logp":"1.5381810036666668","pka":null,"alogps_solubility":"2.09e+01 g/l","alogps_logp":"2.11","alogps_logs":"-0.90","acceptor_count":"3","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"35.010000000000005","refractivity":"46.8889","polarizability":"18.380994541168764","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"0.9760616216891669","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-Isobutyl-3-methoxypyrazine","2-methoxy-3-(2-methylpropyl)pyrazine","3-isobutyl-2-methoxypyrazine","3-methoxy-2-isobutylpyrazine","Pyrazine, 2-(2-methylpropyl)-3-methoxy","Pyrazine, 2-isobutyl-3-methoxy","pyrazine, 2-methoxy, 3-isobutyl","Pyrazine, 3-methoxy-2-(2-methylpropyl)"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}