ethyl 2-bromo-2-triphenylsilylacetate

C22H21BrO2Si — CID 134832270

IUPACethyl 2-bromo-2-triphenylsilylacetate
SMILESCCOC(=O)C(Br)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrO2Si/c1-2-25-22(24)21(23)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2H2,1H3
InChIKeyZUNWKNMCBVAYFW-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.02
Rot. Bonds6

About ethyl 2-bromo-2-triphenylsilylacetate

ethyl 2-bromo-2-triphenylsilylacetate (PubChem CID 134832270) has the molecular formula C22H21BrO2Si and a molecular weight of 425.40 g/mol. Its IUPAC name is ethyl 2-bromo-2-triphenylsilylacetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-triphenylsilylacetate
PubChem CID134832270
Molecular FormulaC22H21BrO2Si
Molecular Weight425.40 g/mol
Exact Mass424.05
IUPAC Nameethyl 2-bromo-2-triphenylsilylacetate
SMILESCCOC(=O)C(Br)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrO2Si/c1-2-25-22(24)21(23)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2H2,1H3
InChIKeyZUNWKNMCBVAYFW-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate
CID 10790158
diethyl 2-bromopropanedioate;toluene
CID 174851876
diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl 2-bromo-2-phenyltelluronylacetate
CID 134986349
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-2-phenylacetate chloride
CID 3083657

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-triphenylsilylacetate?
The IUPAC name of ethyl 2-bromo-2-triphenylsilylacetate (CID 134832270) is ethyl 2-bromo-2-triphenylsilylacetate.
What is the SMILES notation for ethyl 2-bromo-2-triphenylsilylacetate?
The canonical SMILES for ethyl 2-bromo-2-triphenylsilylacetate is CCOC(=O)C(Br)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-bromo-2-triphenylsilylacetate?
The InChIKey is ZUNWKNMCBVAYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrO2Si/c1-2-25-22(24)21(23)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,2H2,1H3.
What are the key properties of ethyl 2-bromo-2-triphenylsilylacetate?
ethyl 2-bromo-2-triphenylsilylacetate has a molecular weight of 425.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-triphenylsilylacetate is sourced from PubChem (CID 134832270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).