3-trimethylsilylprop-2-ynyl acetate

C8H14O2Si — CID 11332718

IUPAC3-trimethylsilylprop-2-ynyl acetate
SMILESCC(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-8(9)10-6-5-7-11(2,3)4/h6H2,1-4H3
InChIKeyUWEILILGMXUASF-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.43
Rot. Bonds1

About 3-trimethylsilylprop-2-ynyl acetate

3-trimethylsilylprop-2-ynyl acetate (PubChem CID 11332718) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynyl acetate.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynyl acetate
PubChem CID11332718
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-trimethylsilylprop-2-ynyl acetate
SMILESCC(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-8(9)10-6-5-7-11(2,3)4/h6H2,1-4H3
InChIKeyUWEILILGMXUASF-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.43
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 3-trimethylsilylprop-2-ynyl acetate?
The IUPAC name of 3-trimethylsilylprop-2-ynyl acetate (CID 11332718) is 3-trimethylsilylprop-2-ynyl acetate.
What is the SMILES notation for 3-trimethylsilylprop-2-ynyl acetate?
The canonical SMILES for 3-trimethylsilylprop-2-ynyl acetate is CC(=O)OCC#C[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylprop-2-ynyl acetate?
The InChIKey is UWEILILGMXUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-8(9)10-6-5-7-11(2,3)4/h6H2,1-4H3.
What are the key properties of 3-trimethylsilylprop-2-ynyl acetate?
3-trimethylsilylprop-2-ynyl acetate has a molecular weight of 170.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylprop-2-ynyl acetate is sourced from PubChem (CID 11332718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).