trimethylsilyl 3-oxobutanoate

C7H14O3Si — CID 14010503

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

About trimethylsilyl 3-oxobutanoate

trimethylsilyl 3-oxobutanoate (PubChem CID 14010503) has the molecular formula C7H14O3Si and a molecular weight of 174.27 g/mol. Its IUPAC name is trimethylsilyl 3-oxobutanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-oxobutanoate
PubChem CID14010503
Molecular FormulaC7H14O3Si
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Nametrimethylsilyl 3-oxobutanoate
SMILESCC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C7H14O3Si/c1-6(8)5-7(9)10-11(2,3)4/h5H2,1-4H3
InChIKeyPMQIIHFSDOPMCN-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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-oxobutanoate?
The IUPAC name of trimethylsilyl 3-oxobutanoate (CID 14010503) is trimethylsilyl 3-oxobutanoate.
What is the SMILES notation for trimethylsilyl 3-oxobutanoate?
The canonical SMILES for trimethylsilyl 3-oxobutanoate is CC(=O)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-oxobutanoate?
The InChIKey is PMQIIHFSDOPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3Si/c1-6(8)5-7(9)10-11(2,3)4/h5H2,1-4H3.
What are the key properties of trimethylsilyl 3-oxobutanoate?
trimethylsilyl 3-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 3-oxobutanoate is sourced from PubChem (CID 14010503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).