ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate

C15H27NO3Si — CID 59180122

IUPACethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(C)n1COCC[Si](C)(C)C
InChIInChI=1S/C15H27NO3Si/c1-7-19-15(17)14-10-12(2)13(3)16(14)11-18-8-9-20(4,5)6/h10H,7-9,11H2,1-6H3
InChIKeyOOQSCPPIRHXIPZ-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.59
Rot. Bonds7

About ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate

ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate (PubChem CID 59180122) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
PubChem CID59180122
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Nameethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c(C)n1COCC[Si](C)(C)C
InChIInChI=1S/C15H27NO3Si/c1-7-19-15(17)14-10-12(2)13(3)16(14)11-18-8-9-20(4,5)6/h10H,7-9,11H2,1-6H3
InChIKeyOOQSCPPIRHXIPZ-UHFFFAOYSA-N
XLogP3.59
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate (CID 59180122) is ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate is CCOC(=O)c1cc(C)c(C)n1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate?
The InChIKey is OOQSCPPIRHXIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3Si/c1-7-19-15(17)14-10-12(2)13(3)16(14)11-18-8-9-20(4,5)6/h10H,7-9,11H2,1-6H3.
What are the key properties of ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate?
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate has a molecular weight of 297.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 59180122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).