{"ymdb_id":"YMDB00826","created_at":"2011-05-29T18:56:13.000Z","updated_at":"2016-09-08T18:35:57.000Z","name":"decan-1-ol","cas":"112-30-1","state":"Liquid","melting_point":"6.9 oC","description":"1-Decanol is a straight chain fatty alcohol with ten carbon atoms. It is a colorless viscous liquid that is insoluble in water and has a strong odor.","experimental_water_solubility":"0.037 mg/mL at 25 oC [BARTON,AFM (1984)]","experimental_logp_hydrophobicity":"4.57 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"28903","hmdb_id":"HMDB11624","kegg_id":"C01633","pubchem_id":"957","cs_id":"7882","foodb_id":null,"wikipedia_link":"Decanol","biocyc_id":"CPD-7867","iupac":"decan-1-ol","traditional_iupac":"decanol","logp":"3.4727339360000005","pka":null,"alogps_solubility":"4.92e-02 g/l","alogps_logp":"4.24","alogps_logs":"-3.51","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"8","polar_surface_area":"20.23","refractivity":"49.740899999999996","polarizability":"21.625306356464378","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.9922594096606376","pka_strongest_acidic":"16.84394282199214","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Decanol","Antak","Capric alcohol","Caprinic alcohol","Decanol","Decyl alcohol","Decyl n- alcohol","Decyl, n- alcohol","Decylic alcohol","n-Decan-1-ol","N-decanol","N-decatyl alcohol","N-decyl alcohol","Nonyl acarbinol","Nonylcarbinol","Panorama","Paranol","Primary decyl alcohol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."}],"proteins":[]}