4-triethylsilylbut-3-yn-2-one

C10H18OSi — CID 11469464

IUPAC4-triethylsilylbut-3-yn-2-one
SMILESCC[Si](C#CC(C)=O)(CC)CC
InChIInChI=1S/C10H18OSi/c1-5-12(6-2,7-3)9-8-10(4)11/h5-7H2,1-4H3
InChIKeyWBFUXKZJRNPOIR-UHFFFAOYSA-N
MW182.34 g/mol
LogP2.63
Rot. Bonds3

About 4-triethylsilylbut-3-yn-2-one

4-triethylsilylbut-3-yn-2-one (PubChem CID 11469464) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is 4-triethylsilylbut-3-yn-2-one.

Molecular Properties

Compound Name4-triethylsilylbut-3-yn-2-one
PubChem CID11469464
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name4-triethylsilylbut-3-yn-2-one
SMILESCC[Si](C#CC(C)=O)(CC)CC
InChIInChI=1S/C10H18OSi/c1-5-12(6-2,7-3)9-8-10(4)11/h5-7H2,1-4H3
InChIKeyWBFUXKZJRNPOIR-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-triethylsilylbut-3-yn-2-one?
The IUPAC name of 4-triethylsilylbut-3-yn-2-one (CID 11469464) is 4-triethylsilylbut-3-yn-2-one.
What is the SMILES notation for 4-triethylsilylbut-3-yn-2-one?
The canonical SMILES for 4-triethylsilylbut-3-yn-2-one is CC[Si](C#CC(C)=O)(CC)CC.
What is the InChIKey of 4-triethylsilylbut-3-yn-2-one?
The InChIKey is WBFUXKZJRNPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi/c1-5-12(6-2,7-3)9-8-10(4)11/h5-7H2,1-4H3.
What are the key properties of 4-triethylsilylbut-3-yn-2-one?
4-triethylsilylbut-3-yn-2-one has a molecular weight of 182.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilylbut-3-yn-2-one is sourced from PubChem (CID 11469464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).