tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane

C29H46O3Si2 — CID 134881253

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane (PubChem CID 134881253) has the molecular formula C29H46O3Si2 and a molecular weight of 498.86 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane
• PubChem CID: 134881253
• Molecular Formula: C29H46O3Si2
• Molecular Weight: 498.86 g/mol
• Exact Mass: 498.30
• IUPAC Name: tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC(O/C=C/c1ccccc1)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C29H46O3Si2/c1-28(2,3)33(7,8)31-23-26(30-22-21-24-17-13-11-14-18-24)27(25-19-15-12-16-20-25)32-34(9,10)29(4,5)6/h11-22,26-27H,23H2,1-10H3/b22-21+
• InChIKey: LVWIJUWGDRJOKI-QURGRASLSA-N
• XLogP: 8.83
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.86
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane (CID 134881253) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(O/C=C/c1ccccc1)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.

What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane?

The InChIKey is LVWIJUWGDRJOKI-QURGRASLSA-N. The full InChI is InChI=1S/C29H46O3Si2/c1-28(2,3)33(7,8)31-23-26(30-22-21-24-17-13-11-14-18-24)27(25-19-15-12-16-20-25)32-34(9,10)29(4,5)6/h11-22,26-27H,23H2,1-10H3/b22-21+.

What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane?

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane has a molecular weight of 498.86 g/mol, XLogP of 8.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane is sourced from PubChem (CID 134881253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).