C93H180AgF9KN2NaO29S5Si10 — CID 159747239
potassium;silver;sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;(4-butan-2-ylphenyl)-tris(trimethylsilyloxy)silane;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;methane;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate (PubChem CID 159747239) has the molecular formula C93H180AgF9KN2NaO29S5Si10 and a molecular weight of 2572.58 g/mol. Its IUPAC name is potassium;silver;sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;(4-butan-2-ylphenyl)-tris(trimethylsilyloxy)silane;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;methane;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate.
| Compound Name | potassium;silver;sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;(4-butan-2-ylphenyl)-tris(trimethylsilyloxy)silane;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;methane;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate |
|---|---|
| PubChem CID | 159747239 |
| Molecular Formula | C93H180AgF9KN2NaO29S5Si10 |
| Molecular Weight | 2572.58 g/mol |
| Exact Mass | 2568.74 |
| IUPAC Name | potassium;silver;sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;(4-butan-2-ylphenyl)-tris(trimethylsilyloxy)silane;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)ethoxysulfonyl-(trifluoromethylsulfonyl)azanide;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;methane;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate |
| SMILES | C.C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.CCC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCOS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.[Ag+].[K+].[Na+] |
| InChI | InChI=1S/C20H29F3O7S.C19H40O3Si4.C18H44O5Si4.C14H32O3Si2.C11H13F3NO4S2.C9H15F3NO7S2.2CH4.Ag.K.Na/c1-4-17(2,3)15(24)30-19-8-12-5-13(9-19)7-18(6-12,11-19)16(25)29-14(20(21,22)23)10-31(26,27)28;1-12-17(2)18-13-15-19(16-14-18)26(20-23(3,4)5,21-24(6,7)8)22-25(9,10)11;1-13-18(2,3)17(19)20-15-14-16-27(21-24(4,5)6,22-25(7,8)9)23-26(10,11)12;1-9-14(2,3)13(15)16-11-10-12-19(7,8)17-18(4,5)6;1-3-8(2)9-4-6-10(7-5-9)20(16,17)15-21(18,19)11(12,13)14;1-4-8(2,3)7(14)19-5-6-20-22(17,18)13-21(15,16)9(10,11)12;;;;;/h12-14H,4-11H2,1-3H3,(H,26,27,28);13-17H,12H2,1-11H3;13-16H2,1-12H3;9-12H2,1-8H3;4-8H,3H2,1-2H3;4-6H2,1-3H3;2*1H4;;;/q;;;;2*-1;;;3*+1/p-1 |
| InChIKey | KDZKPYITEWXHAW-UHFFFAOYSA-M |
| XLogP | 19.33 |
| TPSA | 427.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2572.58 |
| LogP ≤ 5 | 19.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
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