3,5-bis(2-trimethylsilylethynyl)benzaldehyde

C17H22OSi2 — CID 10469998

IUPAC3,5-bis(2-trimethylsilylethynyl)benzaldehyde
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)cc(C=O)c1
InChIInChI=1S/C17H22OSi2/c1-19(2,3)9-7-15-11-16(8-10-20(4,5)6)13-17(12-15)14-18/h11-14H,1-6H3
InChIKeyRIFIKRUCTBIECZ-UHFFFAOYSA-N
MW298.53 g/mol
LogP3.96
Rot. Bonds1

About 3,5-bis(2-trimethylsilylethynyl)benzaldehyde

3,5-bis(2-trimethylsilylethynyl)benzaldehyde (PubChem CID 10469998) has the molecular formula C17H22OSi2 and a molecular weight of 298.53 g/mol. Its IUPAC name is 3,5-bis(2-trimethylsilylethynyl)benzaldehyde.

Molecular Properties

Compound Name3,5-bis(2-trimethylsilylethynyl)benzaldehyde
PubChem CID10469998
Molecular FormulaC17H22OSi2
Molecular Weight298.53 g/mol
Exact Mass298.12
IUPAC Name3,5-bis(2-trimethylsilylethynyl)benzaldehyde
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)cc(C=O)c1
InChIInChI=1S/C17H22OSi2/c1-19(2,3)9-7-15-11-16(8-10-20(4,5)6)13-17(12-15)14-18/h11-14H,1-6H3
InChIKeyRIFIKRUCTBIECZ-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 53.96
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 3,5-bis(2-trimethylsilylethynyl)benzaldehyde?
The IUPAC name of 3,5-bis(2-trimethylsilylethynyl)benzaldehyde (CID 10469998) is 3,5-bis(2-trimethylsilylethynyl)benzaldehyde.
What is the SMILES notation for 3,5-bis(2-trimethylsilylethynyl)benzaldehyde?
The canonical SMILES for 3,5-bis(2-trimethylsilylethynyl)benzaldehyde is C[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)cc(C=O)c1.
What is the InChIKey of 3,5-bis(2-trimethylsilylethynyl)benzaldehyde?
The InChIKey is RIFIKRUCTBIECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OSi2/c1-19(2,3)9-7-15-11-16(8-10-20(4,5)6)13-17(12-15)14-18/h11-14H,1-6H3.
What are the key properties of 3,5-bis(2-trimethylsilylethynyl)benzaldehyde?
3,5-bis(2-trimethylsilylethynyl)benzaldehyde has a molecular weight of 298.53 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-trimethylsilylethynyl)benzaldehyde is sourced from PubChem (CID 10469998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).