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

C18H39BO5Si4 — CID 150927118

IUPAC[4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)cc1
InChIInChI=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
InChIKeyLFGGEOJSKQMGDE-UHFFFAOYSA-N
MW458.66 g/mol
LogP3.24
Rot. Bonds11

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 CID150927118
Molecular FormulaC18H39BO5Si4
Molecular Weight458.66 g/mol
Exact Mass458.20
IUPAC Name[4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(B(O)O)cc1
InChIInChI=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
InChIKeyLFGGEOJSKQMGDE-UHFFFAOYSA-N
XLogP3.24
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.66
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).