ethyl 4-[dimethyl(phenyl)silyl]benzoate

C17H20O2Si — CID 86233969

IUPACethyl 4-[dimethyl(phenyl)silyl]benzoate
SMILESCCOC(=O)c1ccc([Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C17H20O2Si/c1-4-19-17(18)14-10-12-16(13-11-14)20(2,3)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeySKRXQUOGJVGHIP-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.69
Rot. Bonds4

About ethyl 4-[dimethyl(phenyl)silyl]benzoate

ethyl 4-[dimethyl(phenyl)silyl]benzoate (PubChem CID 86233969) has the molecular formula C17H20O2Si and a molecular weight of 284.43 g/mol. Its IUPAC name is ethyl 4-[dimethyl(phenyl)silyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[dimethyl(phenyl)silyl]benzoate
PubChem CID86233969
Molecular FormulaC17H20O2Si
Molecular Weight284.43 g/mol
Exact Mass284.12
IUPAC Nameethyl 4-[dimethyl(phenyl)silyl]benzoate
SMILESCCOC(=O)c1ccc([Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C17H20O2Si/c1-4-19-17(18)14-10-12-16(13-11-14)20(2,3)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeySKRXQUOGJVGHIP-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.69
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

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ethyl 4-[dimethoxy(methyl)silyl]benzoate
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ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
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4-[dimethyl(phenyl)silyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[dimethyl(phenyl)silyl]benzoate?
The IUPAC name of ethyl 4-[dimethyl(phenyl)silyl]benzoate (CID 86233969) is ethyl 4-[dimethyl(phenyl)silyl]benzoate.
What is the SMILES notation for ethyl 4-[dimethyl(phenyl)silyl]benzoate?
The canonical SMILES for ethyl 4-[dimethyl(phenyl)silyl]benzoate is CCOC(=O)c1ccc([Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[dimethyl(phenyl)silyl]benzoate?
The InChIKey is SKRXQUOGJVGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2Si/c1-4-19-17(18)14-10-12-16(13-11-14)20(2,3)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 4-[dimethyl(phenyl)silyl]benzoate?
ethyl 4-[dimethyl(phenyl)silyl]benzoate has a molecular weight of 284.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[dimethyl(phenyl)silyl]benzoate is sourced from PubChem (CID 86233969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).