4-(2-trimethylsilylethynyl)furan-3-carbaldehyde

C10H12O2Si — CID 12866672

IUPAC4-(2-trimethylsilylethynyl)furan-3-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cocc1C=O
InChIInChI=1S/C10H12O2Si/c1-13(2,3)5-4-9-7-12-8-10(9)6-11/h6-8H,1-3H3
InChIKeyXMKWOMODMUXAFJ-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.32
Rot. Bonds1

About 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde

4-(2-trimethylsilylethynyl)furan-3-carbaldehyde (PubChem CID 12866672) has the molecular formula C10H12O2Si and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)furan-3-carbaldehyde
PubChem CID12866672
Molecular FormulaC10H12O2Si
Molecular Weight192.29 g/mol
Exact Mass192.06
IUPAC Name4-(2-trimethylsilylethynyl)furan-3-carbaldehyde
SMILESC[Si](C)(C)C#Cc1cocc1C=O
InChIInChI=1S/C10H12O2Si/c1-13(2,3)5-4-9-7-12-8-10(9)6-11/h6-8H,1-3H3
InChIKeyXMKWOMODMUXAFJ-UHFFFAOYSA-N
XLogP2.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.32
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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Related Compounds

2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 178068399
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde
CID 91348202
3-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
CID 15442235
3,5-bis(2-trimethylsilylethynyl)benzaldehyde
CID 10469998
3-(trifluoromethyl)-2-(2-trimethylsilylethynyl)benzaldehyde
CID 175239552
4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 166491922
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
CID 167716780
2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050031
2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde
CID 151243956
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 5249685
3-methyl-5-(2-trimethylsilylethynyl)pyridine-2-carbaldehyde
CID 168866506

Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde?
The IUPAC name of 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde (CID 12866672) is 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde?
The canonical SMILES for 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde is C[Si](C)(C)C#Cc1cocc1C=O.
What is the InChIKey of 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde?
The InChIKey is XMKWOMODMUXAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2Si/c1-13(2,3)5-4-9-7-12-8-10(9)6-11/h6-8H,1-3H3.
What are the key properties of 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde?
4-(2-trimethylsilylethynyl)furan-3-carbaldehyde has a molecular weight of 192.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)furan-3-carbaldehyde is sourced from PubChem (CID 12866672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).