tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate

C17H30O3SSi — CID 91809539

IUPACtert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(CCO[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C17H30O3SSi/c1-16(2,3)20-15(18)14-10-9-13(21-14)11-12-19-22(7,8)17(4,5)6/h9-10H,11-12H2,1-8H3
InChIKeyUZKSLPZQGUSYIE-UHFFFAOYSA-N
MW342.58 g/mol
LogP5.27
Rot. Bonds5

About tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate

tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate (PubChem CID 91809539) has the molecular formula C17H30O3SSi and a molecular weight of 342.58 g/mol. Its IUPAC name is tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate
PubChem CID91809539
Molecular FormulaC17H30O3SSi
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Nametert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(CCO[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C17H30O3SSi/c1-16(2,3)20-15(18)14-10-9-13(21-14)11-12-19-22(7,8)17(4,5)6/h9-10H,11-12H2,1-8H3
InChIKeyUZKSLPZQGUSYIE-UHFFFAOYSA-N
XLogP5.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.58
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate?
The IUPAC name of tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate (CID 91809539) is tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate?
The canonical SMILES for tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate is CC(C)(C)OC(=O)c1ccc(CCO[Si](C)(C)C(C)(C)C)s1.
What is the InChIKey of tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate?
The InChIKey is UZKSLPZQGUSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3SSi/c1-16(2,3)20-15(18)14-10-9-13(21-14)11-12-19-22(7,8)17(4,5)6/h9-10H,11-12H2,1-8H3.
What are the key properties of tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate?
tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate has a molecular weight of 342.58 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate is sourced from PubChem (CID 91809539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).