4-(2-trimethylsilylethynyl)benzaldehyde

C12H14OSi — CID 2771643

IUPAC4-(2-trimethylsilylethynyl)benzaldehyde
SMILESC[Si](C)(C)C#Cc1ccc(C=O)cc1
InChIInChI=1S/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3
InChIKeyUZQDUXAJFTWMDT-UHFFFAOYSA-N
MW202.33 g/mol
LogP2.73
Rot. Bonds1

About 4-(2-trimethylsilylethynyl)benzaldehyde

4-(2-trimethylsilylethynyl)benzaldehyde (PubChem CID 2771643) has the molecular formula C12H14OSi and a molecular weight of 202.33 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)benzaldehyde
PubChem CID2771643
Molecular FormulaC12H14OSi
Molecular Weight202.33 g/mol
Exact Mass202.08
IUPAC Name4-(2-trimethylsilylethynyl)benzaldehyde
SMILESC[Si](C)(C)C#Cc1ccc(C=O)cc1
InChIInChI=1S/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3
InChIKeyUZQDUXAJFTWMDT-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(2-trimethylsilylethynyl)benzaldehyde?
The IUPAC name of 4-(2-trimethylsilylethynyl)benzaldehyde (CID 2771643) is 4-(2-trimethylsilylethynyl)benzaldehyde.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)benzaldehyde?
The canonical SMILES for 4-(2-trimethylsilylethynyl)benzaldehyde is C[Si](C)(C)C#Cc1ccc(C=O)cc1.
What is the InChIKey of 4-(2-trimethylsilylethynyl)benzaldehyde?
The InChIKey is UZQDUXAJFTWMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3.
What are the key properties of 4-(2-trimethylsilylethynyl)benzaldehyde?
4-(2-trimethylsilylethynyl)benzaldehyde has a molecular weight of 202.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)benzaldehyde is sourced from PubChem (CID 2771643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).