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

C₁₅H₃₃BO₅Si₄ — CID 153321855

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

[4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid (PubChem CID 153321855) has the molecular formula C₁₅H₃₃BO₅Si₄ and a molecular weight of 416.58 g/mol. Its IUPAC name is [4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid.

Molecular Properties

• Compound Name: [4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid
• PubChem CID: 153321855
• Molecular Formula: C₁₅H₃₃BO₅Si₄
• Molecular Weight: 416.58 g/mol
• Exact Mass: 416.15
• IUPAC Name: [4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)cc1
• InChI: InChI=1S/C15H33BO5Si4/c1-22(2,3)19-24(6,7)21-25(8,9)20-23(4,5)15-12-10-14(11-13-15)16(17)18/h10-13,17-18H,1-9H3
• InChIKey: TZWPMSKYRSKKES-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.58
LogP ≤ 5	2.07
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-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid?

The IUPAC name of [4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid (CID 153321855) is [4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid.

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

The canonical SMILES for [4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid is C[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-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid?

The InChIKey is TZWPMSKYRSKKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33BO5Si4/c1-22(2,3)19-24(6,7)21-25(8,9)20-23(4,5)15-12-10-14(11-13-15)16(17)18/h10-13,17-18H,1-9H3.

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

[4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid has a molecular weight of 416.58 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid is sourced from PubChem (CID 153321855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153321855 — identifiers, structure, computed properties (public domain)

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