3-trimethylsilylprop-2-ynoyl chloride

C6H9ClOSi — CID 11309677

IUPAC3-trimethylsilylprop-2-ynoyl chloride
SMILESC[Si](C)(C)C#CC(=O)Cl
InChIInChI=1S/C6H9ClOSi/c1-9(2,3)5-4-6(7)8/h1-3H3
InChIKeyCIQYUDZNFLTUTN-UHFFFAOYSA-N
MW160.68 g/mol
LogP1.63
Rot. Bonds

About 3-trimethylsilylprop-2-ynoyl chloride

3-trimethylsilylprop-2-ynoyl chloride (PubChem CID 11309677) has the molecular formula C6H9ClOSi and a molecular weight of 160.68 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynoyl chloride.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynoyl chloride
PubChem CID11309677
Molecular FormulaC6H9ClOSi
Molecular Weight160.68 g/mol
Exact Mass160.01
IUPAC Name3-trimethylsilylprop-2-ynoyl chloride
SMILESC[Si](C)(C)C#CC(=O)Cl
InChIInChI=1S/C6H9ClOSi/c1-9(2,3)5-4-6(7)8/h1-3H3
InChIKeyCIQYUDZNFLTUTN-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.68
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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-ynoyl chloride?
The IUPAC name of 3-trimethylsilylprop-2-ynoyl chloride (CID 11309677) is 3-trimethylsilylprop-2-ynoyl chloride.
What is the SMILES notation for 3-trimethylsilylprop-2-ynoyl chloride?
The canonical SMILES for 3-trimethylsilylprop-2-ynoyl chloride is C[Si](C)(C)C#CC(=O)Cl.
What is the InChIKey of 3-trimethylsilylprop-2-ynoyl chloride?
The InChIKey is CIQYUDZNFLTUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClOSi/c1-9(2,3)5-4-6(7)8/h1-3H3.
What are the key properties of 3-trimethylsilylprop-2-ynoyl chloride?
3-trimethylsilylprop-2-ynoyl chloride has a molecular weight of 160.68 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylprop-2-ynoyl chloride is sourced from PubChem (CID 11309677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).