ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate

C17H25NO3Si — CID 101354450

IUPACethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate
SMILESCCOC(=O)[C@](C#N)(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-5-20-16(19)17(14-18,15-12-10-9-11-13-15)21-22(6-2,7-3)8-4/h9-13H,5-8H2,1-4H3/t17-/m1/s1
InChIKeyNVSJGNYOUKHQHQ-QGZVFWFLSA-N
MW319.48 g/mol
LogP3.99
Rot. Bonds8

About ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate

ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate (PubChem CID 101354450) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate.

Molecular Properties

Compound Nameethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate
PubChem CID101354450
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC Nameethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate
SMILESCCOC(=O)[C@](C#N)(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-5-20-16(19)17(14-18,15-12-10-9-11-13-15)21-22(6-2,7-3)8-4/h9-13H,5-8H2,1-4H3/t17-/m1/s1
InChIKeyNVSJGNYOUKHQHQ-QGZVFWFLSA-N
XLogP3.99
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate?
The IUPAC name of ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate (CID 101354450) is ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate.
What is the SMILES notation for ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate?
The canonical SMILES for ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate is CCOC(=O)[C@](C#N)(O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate?
The InChIKey is NVSJGNYOUKHQHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO3Si/c1-5-20-16(19)17(14-18,15-12-10-9-11-13-15)21-22(6-2,7-3)8-4/h9-13H,5-8H2,1-4H3/t17-/m1/s1.
What are the key properties of ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate?
ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate has a molecular weight of 319.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-cyano-2-phenyl-2-triethylsilyloxyacetate is sourced from PubChem (CID 101354450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).