3-trimethylsilylprop-2-ynal

C6H10OSi — CID 2760865

IUPAC3-trimethylsilylprop-2-ynal
SMILESC[Si](C)(C)C#CC=O
InChIInChI=1S/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3
InChIKeyLJRWLSKYGWLYIM-UHFFFAOYSA-N
MW126.23 g/mol
LogP1.07
Rot. Bonds

About 3-trimethylsilylprop-2-ynal

3-trimethylsilylprop-2-ynal (PubChem CID 2760865) has the molecular formula C6H10OSi and a molecular weight of 126.23 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynal.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynal
PubChem CID2760865
Molecular FormulaC6H10OSi
Molecular Weight126.23 g/mol
Exact Mass126.05
IUPAC Name3-trimethylsilylprop-2-ynal
SMILESC[Si](C)(C)C#CC=O
InChIInChI=1S/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3
InChIKeyLJRWLSKYGWLYIM-UHFFFAOYSA-N
XLogP1.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-ynal?
The IUPAC name of 3-trimethylsilylprop-2-ynal (CID 2760865) is 3-trimethylsilylprop-2-ynal.
What is the SMILES notation for 3-trimethylsilylprop-2-ynal?
The canonical SMILES for 3-trimethylsilylprop-2-ynal is C[Si](C)(C)C#CC=O.
What is the InChIKey of 3-trimethylsilylprop-2-ynal?
The InChIKey is LJRWLSKYGWLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3.
What are the key properties of 3-trimethylsilylprop-2-ynal?
3-trimethylsilylprop-2-ynal has a molecular weight of 126.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylprop-2-ynal is sourced from PubChem (CID 2760865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).