{"ymdb_id":"YMDB01592","created_at":"2011-08-31T03:25:55.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2-Undecanone","cas":null,"state":"Liquid","melting_point":"15 oC","description":"2-Undecanone is responsible for orange like aromas in Muscat and Riesling wines. It is found naturally in bananas, cloves, ginger, guava, strawberries, wild-grown tomatoes, and the perennial Houttuynia cordata.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"4.09 [TANII,H \u0026 HASHIMOTO,K (1986)]","location":null,"synthesis_reference":null,"chebi_id":"17700","hmdb_id":null,"kegg_id":"C01875","pubchem_id":"8093","cs_id":"7871","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"undecan-2-one","traditional_iupac":"undecan-2-one","logp":"3.918796310333334","pka":null,"alogps_solubility":"1.18e-02 g/l","alogps_logp":"4.25","alogps_logs":"-4.16","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"8","polar_surface_area":"17.07","refractivity":"53.0287","polarizability":"22.6599784859607","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.270866249933755","pka_strongest_acidic":"19.64344776069631","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-Hendecanone","2-Undecanone","Ketone, methyl nonyl","Methyl n-nonyl ketone","Methyl nonyl ketone","Nonyl methyl ketone","Undecan-2-one","Undecanone-(2)"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}