2-(2-trimethylsilylethynyl)cyclobutan-1-one

C9H14OSi — CID 101016219

IUPAC2-(2-trimethylsilylethynyl)cyclobutan-1-one
SMILESC[Si](C)(C)C#CC1CCC1=O
InChIInChI=1S/C9H14OSi/c1-11(2,3)7-6-8-4-5-9(8)10/h8H,4-5H2,1-3H3
InChIKeyBLTFZQUMOABNSZ-UHFFFAOYSA-N
MW166.30 g/mol
LogP1.85
Rot. Bonds

About 2-(2-trimethylsilylethynyl)cyclobutan-1-one

2-(2-trimethylsilylethynyl)cyclobutan-1-one (PubChem CID 101016219) has the molecular formula C9H14OSi and a molecular weight of 166.30 g/mol. Its IUPAC name is 2-(2-trimethylsilylethynyl)cyclobutan-1-one.

Molecular Properties

Compound Name2-(2-trimethylsilylethynyl)cyclobutan-1-one
PubChem CID101016219
Molecular FormulaC9H14OSi
Molecular Weight166.30 g/mol
Exact Mass166.08
IUPAC Name2-(2-trimethylsilylethynyl)cyclobutan-1-one
SMILESC[Si](C)(C)C#CC1CCC1=O
InChIInChI=1S/C9H14OSi/c1-11(2,3)7-6-8-4-5-9(8)10/h8H,4-5H2,1-3H3
InChIKeyBLTFZQUMOABNSZ-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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': '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-(2-trimethylsilylethynyl)cyclobutan-1-one?
The IUPAC name of 2-(2-trimethylsilylethynyl)cyclobutan-1-one (CID 101016219) is 2-(2-trimethylsilylethynyl)cyclobutan-1-one.
What is the SMILES notation for 2-(2-trimethylsilylethynyl)cyclobutan-1-one?
The canonical SMILES for 2-(2-trimethylsilylethynyl)cyclobutan-1-one is C[Si](C)(C)C#CC1CCC1=O.
What is the InChIKey of 2-(2-trimethylsilylethynyl)cyclobutan-1-one?
The InChIKey is BLTFZQUMOABNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OSi/c1-11(2,3)7-6-8-4-5-9(8)10/h8H,4-5H2,1-3H3.
What are the key properties of 2-(2-trimethylsilylethynyl)cyclobutan-1-one?
2-(2-trimethylsilylethynyl)cyclobutan-1-one has a molecular weight of 166.30 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethynyl)cyclobutan-1-one is sourced from PubChem (CID 101016219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).