C105H234N12O32Si16 — CID 161084796
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-N-[2-[methyl-bis(trimethylsilyloxy)silyl]ethoxymethyl]-2-N,6-N-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-4-N,4-N,6-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine;triethoxysilane;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane (PubChem CID 161084796) has the molecular formula C105H234N12O32Si16 and a molecular weight of 2626.45 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-N-[2-[methyl-bis(trimethylsilyloxy)silyl]ethoxymethyl]-2-N,6-N-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-4-N,4-N,6-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine;triethoxysilane;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane.
| Compound Name | 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-N-[2-[methyl-bis(trimethylsilyloxy)silyl]ethoxymethyl]-2-N,6-N-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-4-N,4-N,6-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine;triethoxysilane;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane |
|---|---|
| PubChem CID | 161084796 |
| Molecular Formula | C105H234N12O32Si16 |
| Molecular Weight | 2626.45 g/mol |
| Exact Mass | 2623.34 |
| IUPAC Name | 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine;2-N-[2-[methyl-bis(trimethylsilyloxy)silyl]ethoxymethyl]-2-N,6-N-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-4-N,4-N,6-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine;triethoxysilane;trimethyl-[methyl(trimethylsilyloxy)silyl]oxysilane |
| SMILES | C=CCOCN(COCC=C)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCC=C)n1.CCO[SiH](OCC)OCC.CCO[Si](CCCOCN(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)n1)(OCC)OCC.C[SiH](O[Si](C)(C)C)O[Si](C)(C)C |
| InChI | InChI=1S/C65H154N6O21Si12.C27H42N6O6.C7H22O2Si3.C6H16O3Si/c1-31-78-102(79-32-2,80-33-3)53-42-47-74-58-69(57-72-45-40-51-99(28,87-93(10,11)12)88-94(13,14)15)63-66-64(70(59-75-48-43-54-103(81-34-4,82-35-5)83-36-6)60-76-49-44-55-104(84-37-7,85-38-8)86-39-9)68-65(67-63)71(62-77-50-56-101(30,91-97(22,23)24)92-98(25,26)27)61-73-46-41-52-100(29,89-95(16,17)18)90-96(19,20)21;1-7-13-34-19-31(20-35-14-8-2)25-28-26(32(21-36-15-9-3)22-37-16-10-4)30-27(29-25)33(23-38-17-11-5)24-39-18-12-6;1-10(8-11(2,3)4)9-12(5,6)7;1-4-7-10(8-5-2)9-6-3/h31-62H2,1-30H3;7-12H,1-6,13-24H2;10H,1-7H3;10H,4-6H2,1-3H3 |
| InChIKey | UGJAORCGCVAPAA-UHFFFAOYSA-N |
| XLogP | 22.16 |
| TPSA | 392.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 105 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2626.45 |
| LogP ≤ 5 | 22.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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