C120H232F6N2Na2O34S2Si11 — CID 157188444
disodium;bis(3-(2,2-dimethylbutanoyloxy)-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate);3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylbutanoate;bis(nonyl 2-methylbutanoate) (PubChem CID 157188444) has the molecular formula C120H232F6N2Na2O34S2Si11 and a molecular weight of 2780.20 g/mol. Its IUPAC name is disodium;bis(3-(2,2-dimethylbutanoyloxy)-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate);3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylbutanoate;bis(nonyl 2-methylbutanoate).
| Compound Name | disodium;bis(3-(2,2-dimethylbutanoyloxy)-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate);3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylbutanoate;bis(nonyl 2-methylbutanoate) |
|---|---|
| PubChem CID | 157188444 |
| Molecular Formula | C120H232F6N2Na2O34S2Si11 |
| Molecular Weight | 2780.20 g/mol |
| Exact Mass | 2777.31 |
| IUPAC Name | disodium;bis(3-(2,2-dimethylbutanoyloxy)-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate);3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylbutanoate;bis(nonyl 2-methylbutanoate) |
| SMILES | CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C([O-])=NS(=O)(=O)C(F)(F)F)(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C([O-])=NS(=O)(=O)C(F)(F)F)(C3)C2.CCC(C)(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)C(=O)OCCOCCOCCOC.CCCCCCCCCOC(=O)C(C)CC.CCCCCCCCCOC(=O)C(C)CC.[Na+].[Na+] |
| InChI | InChI=1S/C32H86O12Si11.2C18H26F3NO5S.2C14H28O2.C12H24O5.C12H16O3.2Na/c1-27-32(2,3)31(33)34-29-28-30-46(7,8)36-48(11,12)38-50(15,16)40-52(19,20)42-54(23,24)44-55(25,26)43-53(21,22)41-51(17,18)39-49(13,14)37-47(9,10)35-45(4,5)6;2*1-4-15(2,3)14(24)27-17-8-11-5-12(9-17)7-16(6-11,10-17)13(23)22-28(25,26)18(19,20)21;2*1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2;1-4-11(2)12(13)17-10-9-16-8-7-15-6-5-14-3;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;;/h27-30H2,1-26H3;2*11-12H,4-10H2,1-3H3,(H,22,23);2*13H,4-12H2,1-3H3;11H,4-10H2,1-3H3;5-8,13H,4H2,1-3H3;;/q;;;;;;;2*+1/p-2 |
| InChIKey | TWJHHLQYZPJYQA-UHFFFAOYSA-L |
| XLogP | 23.35 |
| TPSA | 463.44 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 177 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2780.20 |
| LogP ≤ 5 | 23.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 34 |
| 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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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