[2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane

C114H96O6Si6 — CID 102382950

About [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane

[2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane (PubChem CID 102382950) has the molecular formula C114H96O6Si6 and a molecular weight of 1730.53 g/mol. Its IUPAC name is [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane.

Molecular Properties

• Compound Name: [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane
• PubChem CID: 102382950
• Molecular Formula: C114H96O6Si6
• Molecular Weight: 1730.53 g/mol
• Exact Mass: 1728.58
• IUPAC Name: [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane
• SMILES: c1ccc([Si](OC2C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C2O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C114H96O6Si6/c1-19-55-91(56-20-1)121(92-57-21-2-22-58-92,93-59-23-3-24-60-93)115-109-110(116-122(94-61-25-4-26-62-94,95-63-27-5-28-64-95)96-65-29-6-30-66-96)112(118-124(100-73-37-10-38-74-100,101-75-39-11-40-76-101)102-77-41-12-42-78-102)114(120-126(106-85-49-16-50-86-106,107-87-51-17-52-88-107)108-89-53-18-54-90-108)113(119-125(103-79-43-13-44-80-103,104-81-45-14-46-82-104)105-83-47-15-48-84-105)111(109)117-123(97-67-31-7-32-68-97,98-69-33-8-34-70-98)99-71-35-9-36-72-99/h1-90,109-114H
• InChIKey: MGIMZEUCHRWFBI-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 30
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1730.53
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane?

The IUPAC name of [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane (CID 102382950) is [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane.

What is the SMILES notation for [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane?

The canonical SMILES for [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane is c1ccc([Si](OC2C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)C2O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane?

The InChIKey is MGIMZEUCHRWFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H96O6Si6/c1-19-55-91(56-20-1)121(92-57-21-2-22-58-92,93-59-23-3-24-60-93)115-109-110(116-122(94-61-25-4-26-62-94,95-63-27-5-28-64-95)96-65-29-6-30-66-96)112(118-124(100-73-37-10-38-74-100,101-75-39-11-40-76-101)102-77-41-12-42-78-102)114(120-126(106-85-49-16-50-86-106,107-87-51-17-52-88-107)108-89-53-18-54-90-108)113(119-125(103-79-43-13-44-80-103,104-81-45-14-46-82-104)105-83-47-15-48-84-105)111(109)117-123(97-67-31-7-32-68-97,98-69-33-8-34-70-98)99-71-35-9-36-72-99/h1-90,109-114H.

What are the key properties of [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane?

[2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane has a molecular weight of 1730.53 g/mol, XLogP of 12.31, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane is sourced from PubChem (CID 102382950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).