1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde

C9H14OSi — CID 11805133

IUPAC1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde
SMILESC[Si](C)(C)C#CC1(C=O)CC1
InChIInChI=1S/C9H14OSi/c1-11(2,3)7-6-9(8-10)4-5-9/h8H,4-5H2,1-3H3
InChIKeySUMWAKYISAFNFL-UHFFFAOYSA-N
MW166.30 g/mol
LogP1.85
Rot. Bonds1

About 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde

1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde (PubChem CID 11805133) has the molecular formula C9H14OSi and a molecular weight of 166.30 g/mol. Its IUPAC name is 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde
PubChem CID11805133
Molecular FormulaC9H14OSi
Molecular Weight166.30 g/mol
Exact Mass166.08
IUPAC Name1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde
SMILESC[Si](C)(C)C#CC1(C=O)CC1
InChIInChI=1S/C9H14OSi/c1-11(2,3)7-6-9(8-10)4-5-9/h8H,4-5H2,1-3H3
InChIKeySUMWAKYISAFNFL-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.30
LogP ≤ 51.85
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 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde (CID 11805133) is 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde is C[Si](C)(C)C#CC1(C=O)CC1.
What is the InChIKey of 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde?
The InChIKey is SUMWAKYISAFNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OSi/c1-11(2,3)7-6-9(8-10)4-5-9/h8H,4-5H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde?
1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde has a molecular weight of 166.30 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethynyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 11805133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).