5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde

C10H12OSSi — CID 167716780

IUPAC5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cc(C=O)cs1
InChIInChI=1S/C10H12OSSi/c1-13(2,3)5-4-10-6-9(7-11)8-12-10/h6-8H,1-3H3
InChIKeyZZPJJTYKQVRRIB-UHFFFAOYSA-N
MW208.36 g/mol
LogP2.79
Rot. Bonds1

About 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde

5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde (PubChem CID 167716780) has the molecular formula C10H12OSSi and a molecular weight of 208.36 g/mol. Its IUPAC name is 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
PubChem CID167716780
Molecular FormulaC10H12OSSi
Molecular Weight208.36 g/mol
Exact Mass208.04
IUPAC Name5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cc(C=O)cs1
InChIInChI=1S/C10H12OSSi/c1-13(2,3)5-4-10-6-9(7-11)8-12-10/h6-8H,1-3H3
InChIKeyZZPJJTYKQVRRIB-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde?
The IUPAC name of 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde (CID 167716780) is 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde?
The canonical SMILES for 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde is C[Si](C)(C)C#Cc1cc(C=O)cs1.
What is the InChIKey of 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde?
The InChIKey is ZZPJJTYKQVRRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OSSi/c1-13(2,3)5-4-10-6-9(7-11)8-12-10/h6-8H,1-3H3.
What are the key properties of 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde?
5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde has a molecular weight of 208.36 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 167716780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).