tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane

C112H96O6Si8 — CID 89178916

About tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane

tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane (PubChem CID 89178916) has the molecular formula C112H96O6Si8 and a molecular weight of 1762.68 g/mol. Its IUPAC name is tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane.

Molecular Properties

• Compound Name: tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane
• PubChem CID: 89178916
• Molecular Formula: C112H96O6Si8
• Molecular Weight: 1762.68 g/mol
• Exact Mass: 1760.54
• IUPAC Name: tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane
• SMILES: C(=CC[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C112H96O6Si8/c1-19-57-95(58-20-1)121(96-59-21-2-22-60-96,97-61-23-3-24-62-97)113-119(114-122(98-63-25-4-26-64-98,99-65-27-5-28-66-99)100-67-29-6-30-68-100,115-123(101-69-31-7-32-70-101,102-71-33-8-34-72-102)103-73-35-9-36-74-103)93-55-56-94-120(116-124(104-75-37-10-38-76-104,105-77-39-11-40-78-105)106-79-41-12-42-80-106,117-125(107-81-43-13-44-82-107,108-83-45-14-46-84-108)109-85-47-15-48-86-109)118-126(110-87-49-16-50-88-110,111-89-51-17-52-90-111)112-91-53-18-54-92-112/h1-92H,93-94H2
• InChIKey: GJZUPSBKIGCURQ-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 34
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1762.68
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane?

The IUPAC name of tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane (CID 89178916) is tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane.

What is the SMILES notation for tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane?

The canonical SMILES for tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane is C(=CC[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane?

The InChIKey is GJZUPSBKIGCURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H96O6Si8/c1-19-57-95(58-20-1)121(96-59-21-2-22-60-96,97-61-23-3-24-62-97)113-119(114-122(98-63-25-4-26-64-98,99-65-27-5-28-66-99)100-67-29-6-30-68-100,115-123(101-69-31-7-32-70-101,102-71-33-8-34-72-102)103-73-35-9-36-74-103)93-55-56-94-120(116-124(104-75-37-10-38-76-104,105-77-39-11-40-78-105)106-79-41-12-42-80-106,117-125(107-81-43-13-44-82-107,108-83-45-14-46-84-108)109-85-47-15-48-86-109)118-126(110-87-49-16-50-88-110,111-89-51-17-52-90-111)112-91-53-18-54-92-112/h1-92H,93-94H2.

What are the key properties of tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane?

tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane has a molecular weight of 1762.68 g/mol, XLogP of 13.52, 34 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tris(triphenylsilyloxy)-[4-tris(triphenylsilyloxy)silylbut-2-enyl]silane is sourced from PubChem (CID 89178916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).