5-(2-trimethylsilylethynyl)oxolan-2-one

C9H14O2Si — CID 11008576

IUPAC5-(2-trimethylsilylethynyl)oxolan-2-one
SMILESC[Si](C)(C)C#CC1CCC(=O)O1
InChIInChI=1S/C9H14O2Si/c1-12(2,3)7-6-8-4-5-9(10)11-8/h8H,4-5H2,1-3H3
InChIKeyMRCCXXQCGZYHDL-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.57
Rot. Bonds

About 5-(2-trimethylsilylethynyl)oxolan-2-one

5-(2-trimethylsilylethynyl)oxolan-2-one (PubChem CID 11008576) has the molecular formula C9H14O2Si and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-(2-trimethylsilylethynyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-trimethylsilylethynyl)oxolan-2-one
PubChem CID11008576
Molecular FormulaC9H14O2Si
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name5-(2-trimethylsilylethynyl)oxolan-2-one
SMILESC[Si](C)(C)C#CC1CCC(=O)O1
InChIInChI=1S/C9H14O2Si/c1-12(2,3)7-6-8-4-5-9(10)11-8/h8H,4-5H2,1-3H3
InChIKeyMRCCXXQCGZYHDL-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.57
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 5-(2-trimethylsilylethynyl)oxolan-2-one?
The IUPAC name of 5-(2-trimethylsilylethynyl)oxolan-2-one (CID 11008576) is 5-(2-trimethylsilylethynyl)oxolan-2-one.
What is the SMILES notation for 5-(2-trimethylsilylethynyl)oxolan-2-one?
The canonical SMILES for 5-(2-trimethylsilylethynyl)oxolan-2-one is C[Si](C)(C)C#CC1CCC(=O)O1.
What is the InChIKey of 5-(2-trimethylsilylethynyl)oxolan-2-one?
The InChIKey is MRCCXXQCGZYHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2Si/c1-12(2,3)7-6-8-4-5-9(10)11-8/h8H,4-5H2,1-3H3.
What are the key properties of 5-(2-trimethylsilylethynyl)oxolan-2-one?
5-(2-trimethylsilylethynyl)oxolan-2-one has a molecular weight of 182.29 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-trimethylsilylethynyl)oxolan-2-one is sourced from PubChem (CID 11008576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).