2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde

C14H18OSi — CID 10955387

IUPAC2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde
SMILESCc1cc(C#C[Si](C)(C)C)cc(C)c1C=O
InChIInChI=1S/C14H18OSi/c1-11-8-13(6-7-16(3,4)5)9-12(2)14(11)10-15/h8-10H,1-5H3
InChIKeyFHJRDFIICQJJLS-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.34
Rot. Bonds1

About 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde

2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde (PubChem CID 10955387) has the molecular formula C14H18OSi and a molecular weight of 230.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde
PubChem CID10955387
Molecular FormulaC14H18OSi
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde
SMILESCc1cc(C#C[Si](C)(C)C)cc(C)c1C=O
InChIInChI=1S/C14H18OSi/c1-11-8-13(6-7-16(3,4)5)9-12(2)14(11)10-15/h8-10H,1-5H3
InChIKeyFHJRDFIICQJJLS-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.34
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 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde?
The IUPAC name of 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde (CID 10955387) is 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde.
What is the SMILES notation for 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde?
The canonical SMILES for 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde is Cc1cc(C#C[Si](C)(C)C)cc(C)c1C=O.
What is the InChIKey of 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde?
The InChIKey is FHJRDFIICQJJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OSi/c1-11-8-13(6-7-16(3,4)5)9-12(2)14(11)10-15/h8-10H,1-5H3.
What are the key properties of 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde?
2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde has a molecular weight of 230.38 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-trimethylsilylethynyl)benzaldehyde is sourced from PubChem (CID 10955387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).