2-trimethylsilylethyl 1H-imidazole-5-carboxylate

C9H16N2O2Si — CID 19104221

IUPAC2-trimethylsilylethyl 1H-imidazole-5-carboxylate
SMILESC[Si](C)(C)CCOC(=O)c1cnc[nH]1
InChIInChI=1S/C9H16N2O2Si/c1-14(2,3)5-4-13-9(12)8-6-10-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyUUKUXFMVTGESEJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.90
Rot. Bonds4

About 2-trimethylsilylethyl 1H-imidazole-5-carboxylate

2-trimethylsilylethyl 1H-imidazole-5-carboxylate (PubChem CID 19104221) has the molecular formula C9H16N2O2Si and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-trimethylsilylethyl 1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 1H-imidazole-5-carboxylate
PubChem CID19104221
Molecular FormulaC9H16N2O2Si
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-trimethylsilylethyl 1H-imidazole-5-carboxylate
SMILESC[Si](C)(C)CCOC(=O)c1cnc[nH]1
InChIInChI=1S/C9H16N2O2Si/c1-14(2,3)5-4-13-9(12)8-6-10-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyUUKUXFMVTGESEJ-UHFFFAOYSA-N
XLogP1.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 1H-imidazole-5-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 1H-imidazole-5-carboxylate (CID 19104221) is 2-trimethylsilylethyl 1H-imidazole-5-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 1H-imidazole-5-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 1H-imidazole-5-carboxylate is C[Si](C)(C)CCOC(=O)c1cnc[nH]1.
What is the InChIKey of 2-trimethylsilylethyl 1H-imidazole-5-carboxylate?
The InChIKey is UUKUXFMVTGESEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2Si/c1-14(2,3)5-4-13-9(12)8-6-10-7-11-8/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-trimethylsilylethyl 1H-imidazole-5-carboxylate?
2-trimethylsilylethyl 1H-imidazole-5-carboxylate has a molecular weight of 212.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 1H-imidazole-5-carboxylate is sourced from PubChem (CID 19104221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).