4-(2-trimethylsilylethynyl)benzonitrile

C12H13NSi — CID 10488231

IUPAC4-(2-trimethylsilylethynyl)benzonitrile
SMILESC[Si](C)(C)C#Cc1ccc(C#N)cc1
InChIInChI=1S/C12H13NSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,1-3H3
InChIKeyWWNSLIBJQBBKKG-UHFFFAOYSA-N
MW199.33 g/mol
LogP2.79
Rot. Bonds

About 4-(2-trimethylsilylethynyl)benzonitrile

4-(2-trimethylsilylethynyl)benzonitrile (PubChem CID 10488231) has the molecular formula C12H13NSi and a molecular weight of 199.33 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)benzonitrile.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)benzonitrile
PubChem CID10488231
Molecular FormulaC12H13NSi
Molecular Weight199.33 g/mol
Exact Mass199.08
IUPAC Name4-(2-trimethylsilylethynyl)benzonitrile
SMILESC[Si](C)(C)C#Cc1ccc(C#N)cc1
InChIInChI=1S/C12H13NSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,1-3H3
InChIKeyWWNSLIBJQBBKKG-UHFFFAOYSA-N
XLogP2.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethynyl)benzonitrile?
The IUPAC name of 4-(2-trimethylsilylethynyl)benzonitrile (CID 10488231) is 4-(2-trimethylsilylethynyl)benzonitrile.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)benzonitrile?
The canonical SMILES for 4-(2-trimethylsilylethynyl)benzonitrile is C[Si](C)(C)C#Cc1ccc(C#N)cc1.
What is the InChIKey of 4-(2-trimethylsilylethynyl)benzonitrile?
The InChIKey is WWNSLIBJQBBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,1-3H3.
What are the key properties of 4-(2-trimethylsilylethynyl)benzonitrile?
4-(2-trimethylsilylethynyl)benzonitrile has a molecular weight of 199.33 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)benzonitrile is sourced from PubChem (CID 10488231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).