2-(2-trimethylsilylethynyl)cyclopentan-1-one

C10H16OSi — CID 172552152

IUPAC2-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESC[Si](C)(C)C#CC1CCCC1=O
InChIInChI=1S/C10H16OSi/c1-12(2,3)8-7-9-5-4-6-10(9)11/h9H,4-6H2,1-3H3
InChIKeyPWLUTZDFGREBCA-UHFFFAOYSA-N
MW180.32 g/mol
LogP2.24
Rot. Bonds

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

2-(2-trimethylsilylethynyl)cyclopentan-1-one (PubChem CID 172552152) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 2-(2-trimethylsilylethynyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-trimethylsilylethynyl)cyclopentan-1-one
PubChem CID172552152
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name2-(2-trimethylsilylethynyl)cyclopentan-1-one
SMILESC[Si](C)(C)C#CC1CCCC1=O
InChIInChI=1S/C10H16OSi/c1-12(2,3)8-7-9-5-4-6-10(9)11/h9H,4-6H2,1-3H3
InChIKeyPWLUTZDFGREBCA-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.24
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)cyclopentan-1-one?
The IUPAC name of 2-(2-trimethylsilylethynyl)cyclopentan-1-one (CID 172552152) is 2-(2-trimethylsilylethynyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-trimethylsilylethynyl)cyclopentan-1-one is C[Si](C)(C)C#CC1CCCC1=O.
What is the InChIKey of 2-(2-trimethylsilylethynyl)cyclopentan-1-one?
The InChIKey is PWLUTZDFGREBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi/c1-12(2,3)8-7-9-5-4-6-10(9)11/h9H,4-6H2,1-3H3.
What are the key properties of 2-(2-trimethylsilylethynyl)cyclopentan-1-one?
2-(2-trimethylsilylethynyl)cyclopentan-1-one has a molecular weight of 180.32 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethynyl)cyclopentan-1-one is sourced from PubChem (CID 172552152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).