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

C16H37BO5SSi4 — CID 153321810

IUPAC[5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)s1
InChIInChI=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
InChIKeyUKHBHAMYPLYYEF-UHFFFAOYSA-N
MW464.69 g/mol
LogP3.30
Rot. Bonds11

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 CID153321810
Molecular FormulaC16H37BO5SSi4
Molecular Weight464.69 g/mol
Exact Mass464.15
IUPAC Name[5-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]thiophen-2-yl]boronic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)s1
InChIInChI=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
InChIKeyUKHBHAMYPLYYEF-UHFFFAOYSA-N
XLogP3.30
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.69
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).