{"ymdb_id":"YMDB01611","created_at":"2011-08-31T03:27:43.000Z","updated_at":"2016-09-08T18:36:54.000Z","name":"3,7-Dimethyl-1,5-octadien-3,7-diol","cas":"13741-21-4","state":null,"melting_point":null,"description":"3,7-Dimethyl-1,5-octadien-3,7-diol is a volatile secondary alcohol found in wine and produced during fermentation.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5352451","cs_id":"23253407","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3E)-2,6-dimethylocta-3,7-diene-2,6-diol","traditional_iupac":"(3E)-2,6-dimethylocta-3,7-diene-2,6-diol","logp":"1.3759430523333336","pka":"18.291805638474667","alogps_solubility":"2.32e+00 g/l","alogps_logp":"1.62","alogps_logs":"-1.87","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"4","polar_surface_area":"40.46","refractivity":"52.1553","polarizability":"20.0056602661089","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.1553935849547616","pka_strongest_acidic":"17.781254105926628","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(3E)-2,6-Dimethyl-3,7-octadiene-2,6-diol","(E)-2,6-Dimethyl-3,7-octadien-2,6-diol","1,5-Octadien-3,7-diol, 3,7-dimethyl","1,5-Octadiene-3,7-diol, 3,7-dimethyl-","2,6-Dimethyl-3,7-octadien-2,6-diol","2,6-dimethyl-3,7-octadiene-2,6-diol","2,6-Dimethylocta-3,7-dien-2,6-diol","2,6-dimethylocta-3,7-diene-2,6-diol","3,7-Dimethyl-1,5-octadiene-3,7-diol","3,7-dimethyloct-1,5-dien-3,7-diol","3,7-dimethylocta-1,5-diene-3,7-diol","3,7-Octadiene-2,6-diol, 2,6-dimethyl-","trans-3,7-dimethyl-1,5-octadiene-3,7-diol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}