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

C27H47NO4Si5 — CID 139630574

IUPAC4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C27H47NO4Si5/c1-12-13-22-33(2,3)29-35(6,7)31-37(10,11)32-36(8,9)30-34(4,5)27-20-18-26(19-21-27)25-16-14-24(23-28)15-17-25/h14-21H,12-13,22H2,1-11H3
InChIKeyFAFMXWCUZYPSIX-UHFFFAOYSA-N
MW590.11 g/mol
LogP7.81
Rot. Bonds13

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

4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile (PubChem CID 139630574) has the molecular formula C27H47NO4Si5 and a molecular weight of 590.11 g/mol. Its IUPAC name is 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
PubChem CID139630574
Molecular FormulaC27H47NO4Si5
Molecular Weight590.11 g/mol
Exact Mass589.24
IUPAC Name4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C27H47NO4Si5/c1-12-13-22-33(2,3)29-35(6,7)31-37(10,11)32-36(8,9)30-34(4,5)27-20-18-26(19-21-27)25-16-14-24(23-28)15-17-25/h14-21H,12-13,22H2,1-11H3
InChIKeyFAFMXWCUZYPSIX-UHFFFAOYSA-N
XLogP7.81
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.11
LogP ≤ 57.81
H-Bond Donors ≤ 50
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-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile (CID 139630574) is 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
The InChIKey is FAFMXWCUZYPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO4Si5/c1-12-13-22-33(2,3)29-35(6,7)31-37(10,11)32-36(8,9)30-34(4,5)27-20-18-26(19-21-27)25-16-14-24(23-28)15-17-25/h14-21H,12-13,22H2,1-11H3.
What are the key properties of 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile has a molecular weight of 590.11 g/mol, XLogP of 7.81, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile is sourced from PubChem (CID 139630574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).