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

C65H154N6O21Si12 — CID 89403997

About 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

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 (PubChem CID 89403997) has the molecular formula C65H154N6O21Si12 and a molecular weight of 1693.00 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 89403997
• Molecular Formula: C65H154N6O21Si12
• Molecular Weight: 1693.00 g/mol
• Exact Mass: 1690.84
• IUPAC Name: 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
• SMILES: 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
• InChI: InChI=1S/C65H154N6O21Si12/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/h31-62H2,1-30H3
• InChIKey: GLZRGOARDJLCPI-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 242.22 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 68
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.00
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• 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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 89403997) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is 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.

What is the InChIKey of 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?

The InChIKey is GLZRGOARDJLCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H154N6O21Si12/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/h31-62H2,1-30H3.

What are the key properties of 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?

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 has a molecular weight of 1693.00 g/mol, XLogP of 15.56, 68 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 89403997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).