ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

C12H22N2O3Si — CID 123609397

IUPACethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1COCC[Si](C)(C)C
InChIInChI=1S/C12H22N2O3Si/c1-5-17-12(15)11-8-13-9-14(11)10-16-6-7-18(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyBCEAHJSEKFPFIW-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.37
Rot. Bonds7

About ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (PubChem CID 123609397) has the molecular formula C12H22N2O3Si and a molecular weight of 270.40 g/mol. Its IUPAC name is ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
PubChem CID123609397
Molecular FormulaC12H22N2O3Si
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nameethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1COCC[Si](C)(C)C
InChIInChI=1S/C12H22N2O3Si/c1-5-17-12(15)11-8-13-9-14(11)10-16-6-7-18(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyBCEAHJSEKFPFIW-UHFFFAOYSA-N
XLogP2.37
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
ethyl 5-formyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 90036511
ethyl 3-(3-amino-2,2-difluoropropyl)imidazole-4-carboxylate
CID 114384618
ethane;ethyl 3-aminoimidazole-4-carboxylate
CID 145329621
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
CID 140713204
ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 178180599
ethyl 3-prop-1-ynyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 163216453
2-(chloromethoxy)ethyl-trimethylsilane;diethyl 1H-pyrazole-3,5-dicarboxylate;diethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarboxylate
CID 165098881

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (CID 123609397) is ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is CCOC(=O)c1cncn1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The InChIKey is BCEAHJSEKFPFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3Si/c1-5-17-12(15)11-8-13-9-14(11)10-16-6-7-18(2,3)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is sourced from PubChem (CID 123609397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).