C184H354F34O60Si8 — CID 161054783
bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) (PubChem CID 161054783) has the molecular formula C184H354F34O60Si8 and a molecular weight of 4397.42 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate).
| Compound Name | bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) |
|---|---|
| PubChem CID | 161054783 |
| Molecular Formula | C184H354F34O60Si8 |
| Molecular Weight | 4397.42 g/mol |
| Exact Mass | 4394.23 |
| IUPAC Name | bis(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane);bis(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylbutanoate);bis(2-methylbutanoic acid);bis(methyl 2,2-dimethylbutanoate);bis(3,3,4,4,4-pentafluorobutyl 2-methylbutanoate);bis(3-tris(trimethylsilyl)silylpropyl 2,2-dimethylbutanoate) |
| SMILES | CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)C(=O)O.CCC(C)C(=O)O.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.CCC(C)C(=O)OCCC(F)(F)C(F)(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F |
| InChI | InChI=1S/2C47H94O22.2C18H44O2Si4.2C9H13F5O2.2C7H14O2.2C6H2F12.2C5H10O2/c2*1-5-47(2,3)46(48)69-45-44-68-43-42-67-41-40-66-39-38-65-37-36-64-35-34-63-33-32-62-31-30-61-29-28-60-27-26-59-25-24-58-23-22-57-21-20-56-19-18-55-17-16-54-15-14-53-13-12-52-11-10-51-9-8-50-7-6-49-4;2*1-13-18(2,3)17(19)20-15-14-16-24(21(4,5)6,22(7,8)9)23(10,11)12;2*1-3-6(2)7(15)16-5-4-8(10,11)9(12,13)14;2*1-5-7(2,3)6(8)9-4;2*7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10;2*1-3-4(2)5(6)7/h2*5-45H2,1-4H3;2*13-16H2,1-12H3;2*6H,3-5H2,1-2H3;2*5H2,1-4H3;2*1-2H;2*4H,3H2,1-2H3,(H,6,7) |
| InChIKey | UCPIPNQKQYOYIR-UHFFFAOYSA-N |
| XLogP | 35.83 |
| TPSA | 654.20 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 170 |
| Heavy Atoms | 286 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4397.42 |
| LogP ≤ 5 | 35.83 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 58 |
| 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': 'Perfluorinated_chain', 'substructure': 'N/A'} |
|---|