methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate

C13H17NO3Si — CID 45379026

IUPACmethyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
SMILESCOC(=O)[C@@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H17NO3Si/c1-16-12(15)13(10-14,17-18(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/t13-/m0/s1
InChIKeyIPNWYSAZDYSKED-ZDUSSCGKSA-N
MW263.37 g/mol
LogP2.43
Rot. Bonds4

About methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate

methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate (PubChem CID 45379026) has the molecular formula C13H17NO3Si and a molecular weight of 263.37 g/mol. Its IUPAC name is methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
PubChem CID45379026
Molecular FormulaC13H17NO3Si
Molecular Weight263.37 g/mol
Exact Mass263.10
IUPAC Namemethyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
SMILESCOC(=O)[C@@](C#N)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H17NO3Si/c1-16-12(15)13(10-14,17-18(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/t13-/m0/s1
InChIKeyIPNWYSAZDYSKED-ZDUSSCGKSA-N
XLogP2.43
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 11826857
methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate
CID 11098418
methyl 2-cyano-3-methyl-2-phenylbutanoate
CID 141339587
methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate
CID 75113622
methyl (2S)-2-cyano-2-phenylbutanoate
CID 12851218
3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 101209370
methyl 3-cyano-2-hydroxy-2-phenylpropanoate
CID 131858436
2-cyano-2-phenoxy-2-phenylacetic acid
CID 66769789
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
methyl 2-cyano-3-fluoro-2-hydroxy-3-phenylpentanoate
CID 134873018
(2S)-2-phenyl-2-trimethylsilyl-2-trimethylsilyloxyacetic acid
CID 54395913

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate?
The IUPAC name of methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate (CID 45379026) is methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate.
What is the SMILES notation for methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate?
The canonical SMILES for methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate is COC(=O)[C@@](C#N)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate?
The InChIKey is IPNWYSAZDYSKED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO3Si/c1-16-12(15)13(10-14,17-18(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3/t13-/m0/s1.
What are the key properties of methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate?
methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate has a molecular weight of 263.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate is sourced from PubChem (CID 45379026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).