2,2,2-tris(trimethylsilyl)acetonitrile

C11H27NSi3 — CID 19831434

IUPAC2,2,2-tris(trimethylsilyl)acetonitrile
SMILESC[Si](C)(C)C(C#N)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H27NSi3/c1-13(2,3)11(10-12,14(4,5)6)15(7,8)9/h1-9H3
InChIKeyNXWSBJMKGHFAMG-UHFFFAOYSA-N
MW257.60 g/mol
LogP4.34
Rot. Bonds3

About 2,2,2-tris(trimethylsilyl)acetonitrile

2,2,2-tris(trimethylsilyl)acetonitrile (PubChem CID 19831434) has the molecular formula C11H27NSi3 and a molecular weight of 257.60 g/mol. Its IUPAC name is 2,2,2-tris(trimethylsilyl)acetonitrile.

Molecular Properties

Compound Name2,2,2-tris(trimethylsilyl)acetonitrile
PubChem CID19831434
Molecular FormulaC11H27NSi3
Molecular Weight257.60 g/mol
Exact Mass257.15
IUPAC Name2,2,2-tris(trimethylsilyl)acetonitrile
SMILESC[Si](C)(C)C(C#N)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H27NSi3/c1-13(2,3)11(10-12,14(4,5)6)15(7,8)9/h1-9H3
InChIKeyNXWSBJMKGHFAMG-UHFFFAOYSA-N
XLogP4.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.60
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,2-tris(trimethylsilyl)acetonitrile?
The IUPAC name of 2,2,2-tris(trimethylsilyl)acetonitrile (CID 19831434) is 2,2,2-tris(trimethylsilyl)acetonitrile.
What is the SMILES notation for 2,2,2-tris(trimethylsilyl)acetonitrile?
The canonical SMILES for 2,2,2-tris(trimethylsilyl)acetonitrile is C[Si](C)(C)C(C#N)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2,2-tris(trimethylsilyl)acetonitrile?
The InChIKey is NXWSBJMKGHFAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NSi3/c1-13(2,3)11(10-12,14(4,5)6)15(7,8)9/h1-9H3.
What are the key properties of 2,2,2-tris(trimethylsilyl)acetonitrile?
2,2,2-tris(trimethylsilyl)acetonitrile has a molecular weight of 257.60 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(trimethylsilyl)acetonitrile is sourced from PubChem (CID 19831434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).