2,2-diphenyl-2-trimethylsilyloxyacetonitrile

C17H19NOSi — CID 10923986

IUPAC2,2-diphenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOSi/c1-20(2,3)19-17(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyKUJNHONAUPFVRP-UHFFFAOYSA-N
MW281.43 g/mol
LogP4.31
Rot. Bonds4

About 2,2-diphenyl-2-trimethylsilyloxyacetonitrile

2,2-diphenyl-2-trimethylsilyloxyacetonitrile (PubChem CID 10923986) has the molecular formula C17H19NOSi and a molecular weight of 281.43 g/mol. Its IUPAC name is 2,2-diphenyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2,2-diphenyl-2-trimethylsilyloxyacetonitrile
PubChem CID10923986
Molecular FormulaC17H19NOSi
Molecular Weight281.43 g/mol
Exact Mass281.12
IUPAC Name2,2-diphenyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOSi/c1-20(2,3)19-17(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyKUJNHONAUPFVRP-UHFFFAOYSA-N
XLogP4.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-3,3-diphenylpropanenitrile
CID 266076
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
DL-2,3-Dimethoxy-2,3-diphenylsuccinonitrile
CID 143817
2-[Hydroxy(diphenyl)methyl]butanenitrile
CID 90730
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040
Silane, (diphenylmethoxy)trimethyl-
CID 597386
Silane, trimethyl(1-methyl-1-phenylethoxy)-
CID 606221
(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-phenylacetonitrile
CID 5325032
2-[Tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
CID 10610516

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2,2-diphenyl-2-trimethylsilyloxyacetonitrile (CID 10923986) is 2,2-diphenyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2,2-diphenyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2,2-diphenyl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is KUJNHONAUPFVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOSi/c1-20(2,3)19-17(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3.
What are the key properties of 2,2-diphenyl-2-trimethylsilyloxyacetonitrile?
2,2-diphenyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 281.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 10923986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).