[(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate

C12H18O2Si — CID 11831042

IUPAC[(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-10(13)14-12-7-5-6-11(12)8-9-15(2,3)4/h6,12H,5,7H2,1-4H3/t12-/m1/s1
InChIKeyKMJNSLKRBLNJET-GFCCVEGCSA-N
MW222.36 g/mol
LogP2.52
Rot. Bonds1

About [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate

[(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate (PubChem CID 11831042) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate
PubChem CID11831042
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name[(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-10(13)14-12-7-5-6-11(12)8-9-15(2,3)4/h6,12H,5,7H2,1-4H3/t12-/m1/s1
InChIKeyKMJNSLKRBLNJET-GFCCVEGCSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate (CID 11831042) is [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate is CC(=O)O[C@@H]1CCC=C1C#C[Si](C)(C)C.
What is the InChIKey of [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate?
The InChIKey is KMJNSLKRBLNJET-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-10(13)14-12-7-5-6-11(12)8-9-15(2,3)4/h6,12H,5,7H2,1-4H3/t12-/m1/s1.
What are the key properties of [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate?
[(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate has a molecular weight of 222.36 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11831042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).