1.0 2020-03-10 17:00:09 UTC 2020-04-22 18:55:39 UTC BMDB0096036 BMDB96036 9-Decenoylcholine C15H30NO2 256.4042 256.227654209 [2-(dec-9-enoyloxy)ethyl]trimethylazanium [2-(dec-9-enoyloxy)ethyl]trimethylazanium C[N+](C)(C)CCOC(=O)CCCCCCCC=C InChI=1S/C15H30NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5H,1,6-14H2,2-4H3/q+1 MQYYZRFTBFAKRA-UHFFFAOYSA-N belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. Organic compounds Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Acyl cholines Amines Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Acyl choline Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic oxide Organic oxygen compound Organic salt Organooxygen compound Organopnictogen compound Tetraalkylammonium salt Aliphatic acyclic compounds logp -0.41 ALOGPS logs -6.35 ALOGPS logp -0.71 ChemAxon pka_strongest_basic -7 ChemAxon iupac [2-(dec-9-enoyloxy)ethyl]trimethylazanium ChemAxon average_mass 256.4042 ChemAxon mono_mass 256.227654209 ChemAxon smiles C[N+](C)(C)CCOC(=O)CCCCCCCC=C ChemAxon formula C15H30NO2 ChemAxon inchi InChI=1S/C15H30NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5H,1,6-14H2,2-4H3/q+1 ChemAxon inchikey MQYYZRFTBFAKRA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 88.22 ChemAxon polarizability 32.33 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 169486 Specdb::NmrOneD 152170 Specdb::NmrOneD 152171 Specdb::NmrOneD 152172 Specdb::NmrOneD 152173 Specdb::NmrOneD 152174 Specdb::NmrOneD 152175 Specdb::NmrOneD 152176 Specdb::NmrOneD 152177 Specdb::NmrOneD 152178 Specdb::NmrOneD 152179 Specdb::NmrOneD 152180 Specdb::NmrOneD 152181 Specdb::NmrOneD 152182 Specdb::NmrOneD 152183 Specdb::NmrOneD 152184 Specdb::NmrOneD 152185 Specdb::NmrOneD 152186 Specdb::NmrOneD 152187 Specdb::NmrOneD 152188 Specdb::NmrOneD 152189 FDB029332 22155840 14582886 169707