ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate

C28H36O2Si2 — CID 10790158

IUPACethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate
SMILESCCOC(=O)C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H36O2Si2/c1-7-30-26(29)27(31(5,6)28(2,3)4)32(23-17-11-8-12-18-23,24-19-13-9-14-20-24)25-21-15-10-16-22-25/h8-22,27H,7H2,1-6H3
InChIKeyYWEUMYCYLYESFT-UHFFFAOYSA-N
MW460.77 g/mol
LogP5.14
Rot. Bonds7

About ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate

ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate (PubChem CID 10790158) has the molecular formula C28H36O2Si2 and a molecular weight of 460.77 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate
PubChem CID10790158
Molecular FormulaC28H36O2Si2
Molecular Weight460.77 g/mol
Exact Mass460.23
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate
SMILESCCOC(=O)C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H36O2Si2/c1-7-30-26(29)27(31(5,6)28(2,3)4)32(23-17-11-8-12-18-23,24-19-13-9-14-20-24)25-21-15-10-16-22-25/h8-22,27H,7H2,1-6H3
InChIKeyYWEUMYCYLYESFT-UHFFFAOYSA-N
XLogP5.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.77
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-bromo-2-triphenylsilylacetate
CID 134832270
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
ethyl (2S)-3,3-dimethyl-2-phenylbutanoate
CID 66805498
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-3-phenylsulfanylpropanoate
CID 138975548
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
ethyl 2-carbonochloridoyl-3-methyl-3-phenylbutanoate
CID 24974939
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate (CID 10790158) is ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate is CCOC(=O)C([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate?
The InChIKey is YWEUMYCYLYESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O2Si2/c1-7-30-26(29)27(31(5,6)28(2,3)4)32(23-17-11-8-12-18-23,24-19-13-9-14-20-24)25-21-15-10-16-22-25/h8-22,27H,7H2,1-6H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate?
ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate has a molecular weight of 460.77 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate is sourced from PubChem (CID 10790158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).