[5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid

C16H37BO5SSi4 — CID 153321810

About [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid

[5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid (PubChem CID 153321810) has the molecular formula C16H37BO5SSi4 and a molecular weight of 464.69 g/mol. Its IUPAC name is [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid.

Molecular Properties

• Compound Name: [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid
• PubChem CID: 153321810
• Molecular Formula: C16H37BO5SSi4
• Molecular Weight: 464.69 g/mol
• Exact Mass: 464.15
• IUPAC Name: [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid
• SMILES: CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)s1
• InChI: InChI=1S/C16H37BO5SSi4/c1-10-11-14-24(2,3)20-26(6,7)22-27(8,9)21-25(4,5)16-13-12-15(23-16)17(18)19/h12-13,18-19H,10-11,14H2,1-9H3
• InChIKey: UKHBHAMYPLYYEF-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.69
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid?

The IUPAC name of [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid (CID 153321810) is [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid.

What is the SMILES notation for [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid?

The canonical SMILES for [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)s1.

What is the InChIKey of [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid?

The InChIKey is UKHBHAMYPLYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37BO5SSi4/c1-10-11-14-24(2,3)20-26(6,7)22-27(8,9)21-25(4,5)16-13-12-15(23-16)17(18)19/h12-13,18-19H,10-11,14H2,1-9H3.

What are the key properties of [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid?

[5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid has a molecular weight of 464.69 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid is sourced from PubChem (CID 153321810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).