ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

C21H37NO3Si2 — CID 10763930

IUPACethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(CCO[Si](C)(C)C(C)(C)C)=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C21H37NO3Si2/c1-10-24-20(23)22-18(14-16-25-27(8,9)21(2,3)4)12-11-13-19(22)15-17-26(5,6)7/h11-13,19H,10,14,16H2,1-9H3
InChIKeyBUDSKFBVUDIUCE-UHFFFAOYSA-N
MW407.70 g/mol
LogP5.56
Rot. Bonds5

About ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (PubChem CID 10763930) has the molecular formula C21H37NO3Si2 and a molecular weight of 407.70 g/mol. Its IUPAC name is ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
PubChem CID10763930
Molecular FormulaC21H37NO3Si2
Molecular Weight407.70 g/mol
Exact Mass407.23
IUPAC Nameethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(CCO[Si](C)(C)C(C)(C)C)=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C21H37NO3Si2/c1-10-24-20(23)22-18(14-16-25-27(8,9)21(2,3)4)12-11-13-19(22)15-17-26(5,6)7/h11-13,19H,10,14,16H2,1-9H3
InChIKeyBUDSKFBVUDIUCE-UHFFFAOYSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.70
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 10803682

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (CID 10763930) is ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is CCOC(=O)N1C(CCO[Si](C)(C)C(C)(C)C)=CC=CC1C#C[Si](C)(C)C.
What is the InChIKey of ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The InChIKey is BUDSKFBVUDIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO3Si2/c1-10-24-20(23)22-18(14-16-25-27(8,9)21(2,3)4)12-11-13-19(22)15-17-26(5,6)7/h11-13,19H,10,14,16H2,1-9H3.
What are the key properties of ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate has a molecular weight of 407.70 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10763930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).