[4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid

C18H39BO5Si4 — CID 150927118

About [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid

[4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid (PubChem CID 150927118) has the molecular formula C18H39BO5Si4 and a molecular weight of 458.66 g/mol. Its IUPAC name is [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid.

Molecular Properties

• Compound Name: [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid
• PubChem CID: 150927118
• Molecular Formula: C18H39BO5Si4
• Molecular Weight: 458.66 g/mol
• Exact Mass: 458.20
• IUPAC Name: [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid
• SMILES: CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)cc1
• InChI: InChI=1S/C18H39BO5Si4/c1-10-11-16-25(2,3)22-27(6,7)24-28(8,9)23-26(4,5)18-14-12-17(13-15-18)19(20)21/h12-15,20-21H,10-11,16H2,1-9H3
• InChIKey: LFGGEOJSKQMGDE-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.66
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid?

The IUPAC name of [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid (CID 150927118) is [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid.

What is the SMILES notation for [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid?

The canonical SMILES for [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)cc1.

What is the InChIKey of [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid?

The InChIKey is LFGGEOJSKQMGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39BO5Si4/c1-10-11-16-25(2,3)22-27(6,7)24-28(8,9)23-26(4,5)18-14-12-17(13-15-18)19(20)21/h12-15,20-21H,10-11,16H2,1-9H3.

What are the key properties of [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid?

[4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid has a molecular weight of 458.66 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid is sourced from PubChem (CID 150927118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).