tert-butyl 2-oxo-2-triethylsilylacetate

C12H24O3Si — CID 51050115

IUPACtert-butyl 2-oxo-2-triethylsilylacetate
SMILESCC[Si](CC)(CC)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-16(8-2,9-3)11(14)10(13)15-12(4,5)6/h7-9H2,1-6H3
InChIKeyUEYABJBDWBGSNH-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl 2-oxo-2-triethylsilylacetate

tert-butyl 2-oxo-2-triethylsilylacetate (PubChem CID 51050115) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is tert-butyl 2-oxo-2-triethylsilylacetate.

Molecular Properties

Compound Nametert-butyl 2-oxo-2-triethylsilylacetate
PubChem CID51050115
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametert-butyl 2-oxo-2-triethylsilylacetate
SMILESCC[Si](CC)(CC)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-16(8-2,9-3)11(14)10(13)15-12(4,5)6/h7-9H2,1-6H3
InChIKeyUEYABJBDWBGSNH-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-2-triethylsilylacetate?
The IUPAC name of tert-butyl 2-oxo-2-triethylsilylacetate (CID 51050115) is tert-butyl 2-oxo-2-triethylsilylacetate.
What is the SMILES notation for tert-butyl 2-oxo-2-triethylsilylacetate?
The canonical SMILES for tert-butyl 2-oxo-2-triethylsilylacetate is CC[Si](CC)(CC)C(=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-oxo-2-triethylsilylacetate?
The InChIKey is UEYABJBDWBGSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-16(8-2,9-3)11(14)10(13)15-12(4,5)6/h7-9H2,1-6H3.
What are the key properties of tert-butyl 2-oxo-2-triethylsilylacetate?
tert-butyl 2-oxo-2-triethylsilylacetate has a molecular weight of 244.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-2-triethylsilylacetate is sourced from PubChem (CID 51050115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).