Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane

C₂₂H₆₀O₂Si₈ — CID 57354853

About Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane

Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane (PubChem CID 57354853) has the molecular formula C₂₂H₆₀O₂Si₈ and a molecular weight of 581.41 g/mol. Its IUPAC name is tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane.

Molecular Properties

• Compound Name: Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane
• PubChem CID: 57354853
• Molecular Formula: C₂₂H₆₀O₂Si₈
• Molecular Weight: 581.41 g/mol
• Exact Mass: 580.27
• IUPAC Name: tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane
• SMILES: C[Si](C)(C)[Si](OC=CCCO[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C22H60O2Si8/c1-25(2,3)31(26(4,5)6,27(7,8)9)23-21-19-20-22-24-32(28(10,11)12,29(13,14)15)30(16,17)18/h19,21H,20,22H2,1-18H3
• InChIKey: HTQDUGCKLDHQMH-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.41
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane?

The IUPAC name of Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane (CID 57354853) is tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane.

What is the SMILES notation for Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane?

The canonical SMILES for Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane is C[Si](C)(C)[Si](OC=CCCO[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.

What is the InChIKey of Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane?

The InChIKey is HTQDUGCKLDHQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H60O2Si8/c1-25(2,3)31(26(4,5)6,27(7,8)9)23-21-19-20-22-24-32(28(10,11)12,29(13,14)15)30(16,17)18/h19,21H,20,22H2,1-18H3.

What are the key properties of Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane?

Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane has a molecular weight of 581.41 g/mol, XLogP of 8.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tris(trimethylsilyl)-[4-tris(trimethylsilyl)silyloxybut-1-enoxy]silane is sourced from PubChem (CID 57354853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57354853 — identifiers, structure, computed properties (public domain)

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