{"ymdb_id":"YMDB15909","created_at":"2016-08-03T23:48:46.000Z","updated_at":"2016-09-10T00:51:56.000Z","name":"(s)-3-Ethyl-4-methylpentanol","cas":null,"state":null,"melting_point":null,"description":"(S)-3-Ethyl-4-methylpentanol belongs to the family of Primary Alcohols. These are compounds comprising the primary alcohol functional group, with the general strucuture RCOH (R=alkyl, aryl)","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":"(3S)-3-ethyl-4-methylpentan-1-ol","traditional_iupac":"(3S)-3-ethyl-4-methylpentan-1-ol","logp":"2.2684974686666664","pka":null,"alogps_solubility":"1.42e+00 g/l","alogps_logp":"2.80","alogps_logs":"-1.96","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"4","polar_surface_area":"20.23","refractivity":"40.4341","polarizability":"16.672204359524663","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.885339614734054","pka_strongest_acidic":"17.088386797590182","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":[]}