2-phenyl-2-trimethylsilylperoxyacetonitrile

C11H15NO2Si — CID 87211766

IUPAC2-phenyl-2-trimethylsilylperoxyacetonitrile
SMILESC[Si](C)(C)OOC(C#N)c1ccccc1
InChIInChI=1S/C11H15NO2Si/c1-15(2,3)14-13-11(9-12)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKeyBFYXJLBKBOYYFW-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.03
Rot. Bonds4

About 2-phenyl-2-trimethylsilylperoxyacetonitrile

2-phenyl-2-trimethylsilylperoxyacetonitrile (PubChem CID 87211766) has the molecular formula C11H15NO2Si and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-phenyl-2-trimethylsilylperoxyacetonitrile.

Molecular Properties

Compound Name2-phenyl-2-trimethylsilylperoxyacetonitrile
PubChem CID87211766
Molecular FormulaC11H15NO2Si
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name2-phenyl-2-trimethylsilylperoxyacetonitrile
SMILESC[Si](C)(C)OOC(C#N)c1ccccc1
InChIInChI=1S/C11H15NO2Si/c1-15(2,3)14-13-11(9-12)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChIKeyBFYXJLBKBOYYFW-UHFFFAOYSA-N
XLogP3.03
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[phenyl(trimethylsilylperoxy)methyl]peroxysilane
CID 10756659
[cyano(phenyl)methoxy] methanesulfonate
CID 87211740
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 10935387
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
2-cyclohexyloxy-2-phenylacetonitrile
CID 101349721
2-(3-hydroxybutan-2-yloxy)-2-phenylacetonitrile
CID 85303765
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
2-[hydroxy(phenyl)methoxy]-2-phenylacetonitrile
CID 70797697
2-methoxy-2-(4-phenylphenyl)acetonitrile
CID 66070699
2-(4-phenylmethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 15327372
2-(4-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 10776410

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-trimethylsilylperoxyacetonitrile?
The IUPAC name of 2-phenyl-2-trimethylsilylperoxyacetonitrile (CID 87211766) is 2-phenyl-2-trimethylsilylperoxyacetonitrile.
What is the SMILES notation for 2-phenyl-2-trimethylsilylperoxyacetonitrile?
The canonical SMILES for 2-phenyl-2-trimethylsilylperoxyacetonitrile is C[Si](C)(C)OOC(C#N)c1ccccc1.
What is the InChIKey of 2-phenyl-2-trimethylsilylperoxyacetonitrile?
The InChIKey is BFYXJLBKBOYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2Si/c1-15(2,3)14-13-11(9-12)10-7-5-4-6-8-10/h4-8,11H,1-3H3.
What are the key properties of 2-phenyl-2-trimethylsilylperoxyacetonitrile?
2-phenyl-2-trimethylsilylperoxyacetonitrile has a molecular weight of 221.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-trimethylsilylperoxyacetonitrile is sourced from PubChem (CID 87211766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).