{"ymdb_id":"YMDB01717","created_at":"2011-08-31T03:39:10.000Z","updated_at":"2016-09-08T18:37:02.000Z","name":"Isooctanol","cas":"26952-21-6","state":"Liquid","melting_point":"-117.2 oC","description":"2-Ethylhexanol (isooctanol) is a branched eight-carbon chiral fatty alcohol.","experimental_water_solubility":"0.64 mg/mL [NEELY,WB (1984)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"15450","cs_id":"14702","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"6-methylheptan-1-ol","traditional_iupac":"isooctyl alcohol","logp":"2.4260470373333325","pka":null,"alogps_solubility":"6.27e-01 g/l","alogps_logp":"2.86","alogps_logs":"-2.32","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"20.23","refractivity":"40.4865","polarizability":"17.179737939377638","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.9922594291650837","pka_strongest_acidic":"16.843942777400358","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":[],"proteins":[]}