2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile

C14H21NOSi — CID 10610516

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
SMILESCC(C)(C)[Si](C)(C)OC(C#N)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-10,13H,1-5H3
InChIKeyRLYDGJFOIUFCTJ-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.27
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile

2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile (PubChem CID 10610516) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
PubChem CID10610516
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
SMILESCC(C)(C)[Si](C)(C)OC(C#N)c1ccccc1
InChIInChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-10,13H,1-5H3
InChIKeyRLYDGJFOIUFCTJ-UHFFFAOYSA-N
XLogP4.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile (CID 10610516) is 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile is CC(C)(C)[Si](C)(C)OC(C#N)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
The InChIKey is RLYDGJFOIUFCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12/h6-10,13H,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile has a molecular weight of 247.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile is sourced from PubChem (CID 10610516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).