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

C23H33NOSi2 — CID 139630608

IUPAC4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
SMILESCCCCC[Si](C)(C)O[Si](C)(C)Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H33NOSi2/c1-6-7-8-17-26(2,3)25-27(4,5)19-21-11-15-23(16-12-21)22-13-9-20(18-24)10-14-22/h9-16H,6-8,17,19H2,1-5H3
InChIKeyJCJCWGFQBCQCRX-UHFFFAOYSA-N
MW395.70 g/mol
LogP6.92
Rot. Bonds9

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

4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile (PubChem CID 139630608) has the molecular formula C23H33NOSi2 and a molecular weight of 395.70 g/mol. Its IUPAC name is 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
PubChem CID139630608
Molecular FormulaC23H33NOSi2
Molecular Weight395.70 g/mol
Exact Mass395.21
IUPAC Name4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
SMILESCCCCC[Si](C)(C)O[Si](C)(C)Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H33NOSi2/c1-6-7-8-17-26(2,3)25-27(4,5)19-21-11-15-23(16-12-21)22-13-9-20(18-24)10-14-22/h9-16H,6-8,17,19H2,1-5H3
InChIKeyJCJCWGFQBCQCRX-UHFFFAOYSA-N
XLogP6.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.70
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile (CID 139630608) is 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile is CCCCC[Si](C)(C)O[Si](C)(C)Cc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The InChIKey is JCJCWGFQBCQCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NOSi2/c1-6-7-8-17-26(2,3)25-27(4,5)19-21-11-15-23(16-12-21)22-13-9-20(18-24)10-14-22/h9-16H,6-8,17,19H2,1-5H3.
What are the key properties of 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile has a molecular weight of 395.70 g/mol, XLogP of 6.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 139630608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).