C44H87AgF2O16SSi2 — CID 163933979
silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate (PubChem CID 163933979) has the molecular formula C44H87AgF2O16SSi2 and a molecular weight of 1106.27 g/mol. Its IUPAC name is silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate.
| Compound Name | silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate |
|---|---|
| PubChem CID | 163933979 |
| Molecular Formula | C44H87AgF2O16SSi2 |
| Molecular Weight | 1106.27 g/mol |
| Exact Mass | 1104.43 |
| IUPAC Name | silver;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;3-[dimethyl(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylbutanoate |
| SMILES | CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.CCC(C)C(=O)OCCOCC1CO1.CCOCCOCCOC(=O)C(C)CC.[Ag+] |
| InChI | InChI=1S/C14H32O3Si2.C11H22O4.C10H18O4.C9H16F2O5S.Ag/c1-9-14(2,3)13(15)16-11-10-12-19(7,8)17-18(4,5)6;1-4-10(3)11(12)15-9-8-14-7-6-13-5-2;1-3-8(2)10(11)13-5-4-12-6-9-7-14-9;1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15;/h9-12H2,1-8H3;10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3;6H,5H2,1-4H3,(H,13,14,15);/q;;;;+1/p-1 |
| InChIKey | RLCDXYMMIDRQJN-UHFFFAOYSA-M |
| XLogP | 8.52 |
| TPSA | 211.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 66 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1106.27 |
| LogP ≤ 5 | 8.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| 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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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