tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane

C51H74O3Si2 — CID 11735422

About tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane

tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane (PubChem CID 11735422) has the molecular formula C51H74O3Si2 and a molecular weight of 791.32 g/mol. Its IUPAC name is tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane
• PubChem CID: 11735422
• Molecular Formula: C51H74O3Si2
• Molecular Weight: 791.32 g/mol
• Exact Mass: 790.52
• IUPAC Name: tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane
• SMILES: C=CC(CCCCCCCCCCCCC)OCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C51H74O3Si2/c1-9-11-12-13-14-15-16-17-18-19-24-33-44(10-2)52-42-45(54-56(51(6,7)8,48-38-29-22-30-39-48)49-40-31-23-32-41-49)43-53-55(50(3,4)5,46-34-25-20-26-35-46)47-36-27-21-28-37-47/h10,20-23,25-32,34-41,44-45H,2,9,11-19,24,33,42-43H2,1,3-8H3
• InChIKey: WKEITEKRYUMUFT-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 25
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.32
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane?

The IUPAC name of tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane (CID 11735422) is tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane.

What is the SMILES notation for tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane?

The canonical SMILES for tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane is C=CC(CCCCCCCCCCCCC)OCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane?

The InChIKey is WKEITEKRYUMUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H74O3Si2/c1-9-11-12-13-14-15-16-17-18-19-24-33-44(10-2)52-42-45(54-56(51(6,7)8,48-38-29-22-30-39-48)49-40-31-23-32-41-49)43-53-55(50(3,4)5,46-34-25-20-26-35-46)47-36-27-21-28-37-47/h10,20-23,25-32,34-41,44-45H,2,9,11-19,24,33,42-43H2,1,3-8H3.

What are the key properties of tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane?

tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane has a molecular weight of 791.32 g/mol, XLogP of 11.78, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 11735422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).