2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile

C15H19NSi — CID 67187299

IUPAC2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile
SMILESCC(C)(C#N)c1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H19NSi/c1-15(2,12-16)14-8-6-7-13(11-14)9-10-17(3,4)5/h6-8,11H,1-5H3
InChIKeyNOKWDBAZELGWAD-UHFFFAOYSA-N
MW241.41 g/mol
LogP3.72
Rot. Bonds1

About 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile

2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile (PubChem CID 67187299) has the molecular formula C15H19NSi and a molecular weight of 241.41 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile
PubChem CID67187299
Molecular FormulaC15H19NSi
Molecular Weight241.41 g/mol
Exact Mass241.13
IUPAC Name2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile
SMILESCC(C)(C#N)c1cccc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C15H19NSi/c1-15(2,12-16)14-8-6-7-13(11-14)9-10-17(3,4)5/h6-8,11H,1-5H3
InChIKeyNOKWDBAZELGWAD-UHFFFAOYSA-N
XLogP3.72
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 53.72
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 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile (CID 67187299) is 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile is CC(C)(C#N)c1cccc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile?
The InChIKey is NOKWDBAZELGWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NSi/c1-15(2,12-16)14-8-6-7-13(11-14)9-10-17(3,4)5/h6-8,11H,1-5H3.
What are the key properties of 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile?
2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile has a molecular weight of 241.41 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(2-trimethylsilylethynyl)phenyl]propanenitrile is sourced from PubChem (CID 67187299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).