trimethylsilyl 2-oxobutanoate

C7H14O3Si — CID 530073

IUPACtrimethylsilyl 2-oxobutanoate
SMILESCCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C7H14O3Si/c1-5-6(8)7(9)10-11(2,3)4/h5H2,1-4H3
InChIKeyFDGFSLJBVKGLCO-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.34
Rot. Bonds3

About trimethylsilyl 2-oxobutanoate

trimethylsilyl 2-oxobutanoate (PubChem CID 530073) has the molecular formula C7H14O3Si and a molecular weight of 174.27 g/mol. Its IUPAC name is trimethylsilyl 2-oxobutanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-oxobutanoate
PubChem CID530073
Molecular FormulaC7H14O3Si
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Nametrimethylsilyl 2-oxobutanoate
SMILESCCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C7H14O3Si/c1-5-6(8)7(9)10-11(2,3)4/h5H2,1-4H3
InChIKeyFDGFSLJBVKGLCO-UHFFFAOYSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.34
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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Related Compounds

Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
CID 85989096
2-Ketobutyric acid, tert-butyldimethylsilyl ester
CID 91706642
Trimethylsilyl 2-oxopropanoate
CID 554459
Trimethylsilyl 2-oxopentanoate
CID 530075
Silyl 2-oxobutanoate
CID 123243658
Sodium;hydride;trimethylsilyl 2-oxopropanoate
CID 175228090
Trimethylsilyl 2-oxopropaneperoxoate
CID 175228093

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-oxobutanoate?
The IUPAC name of trimethylsilyl 2-oxobutanoate (CID 530073) is trimethylsilyl 2-oxobutanoate.
What is the SMILES notation for trimethylsilyl 2-oxobutanoate?
The canonical SMILES for trimethylsilyl 2-oxobutanoate is CCC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-oxobutanoate?
The InChIKey is FDGFSLJBVKGLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3Si/c1-5-6(8)7(9)10-11(2,3)4/h5H2,1-4H3.
What are the key properties of trimethylsilyl 2-oxobutanoate?
trimethylsilyl 2-oxobutanoate has a molecular weight of 174.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-oxobutanoate is sourced from PubChem (CID 530073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).