ethyl 4-(4-trimethylsilylphenyl)benzoate

C18H22O2Si — CID 162408252

IUPACethyl 4-(4-trimethylsilylphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C18H22O2Si/c1-5-20-18(19)16-8-6-14(7-9-16)15-10-12-17(13-11-15)21(2,3)4/h6-13H,5H2,1-4H3
InChIKeyABITXRJOYPWADR-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.08
Rot. Bonds4

About ethyl 4-(4-trimethylsilylphenyl)benzoate

ethyl 4-(4-trimethylsilylphenyl)benzoate (PubChem CID 162408252) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is ethyl 4-(4-trimethylsilylphenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-trimethylsilylphenyl)benzoate
PubChem CID162408252
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Nameethyl 4-(4-trimethylsilylphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C18H22O2Si/c1-5-20-18(19)16-8-6-14(7-9-16)15-10-12-17(13-11-15)21(2,3)4/h6-13H,5H2,1-4H3
InChIKeyABITXRJOYPWADR-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.08
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

ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
ethyl 4-[dimethoxy(methyl)silyl]benzoate
CID 102074408
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
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ethyl 4-pyrimidin-5-ylbenzoate
CID 12946641
ethyl 4-(furan-3-yl)benzoate
CID 86071197
ethyl 4-methylbenzoate;hydrochloride
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ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-azulen-2-ylbenzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-trimethylsilylphenyl)benzoate?
The IUPAC name of ethyl 4-(4-trimethylsilylphenyl)benzoate (CID 162408252) is ethyl 4-(4-trimethylsilylphenyl)benzoate.
What is the SMILES notation for ethyl 4-(4-trimethylsilylphenyl)benzoate?
The canonical SMILES for ethyl 4-(4-trimethylsilylphenyl)benzoate is CCOC(=O)c1ccc(-c2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of ethyl 4-(4-trimethylsilylphenyl)benzoate?
The InChIKey is ABITXRJOYPWADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-5-20-18(19)16-8-6-14(7-9-16)15-10-12-17(13-11-15)21(2,3)4/h6-13H,5H2,1-4H3.
What are the key properties of ethyl 4-(4-trimethylsilylphenyl)benzoate?
ethyl 4-(4-trimethylsilylphenyl)benzoate has a molecular weight of 298.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-trimethylsilylphenyl)benzoate is sourced from PubChem (CID 162408252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).