trimethylsilyl 2-oxopropaneperoxoate

C6H12O4Si — CID 175228093

IUPACtrimethylsilyl 2-oxopropaneperoxoate
SMILESCC(=O)C(=O)OO[Si](C)(C)C
InChIInChI=1S/C6H12O4Si/c1-5(7)6(8)9-10-11(2,3)4/h1-4H3
InChIKeyUOROQKRAGALYPI-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.89
Rot. Bonds3

About trimethylsilyl 2-oxopropaneperoxoate

trimethylsilyl 2-oxopropaneperoxoate (PubChem CID 175228093) has the molecular formula C6H12O4Si and a molecular weight of 176.24 g/mol. Its IUPAC name is trimethylsilyl 2-oxopropaneperoxoate.

Molecular Properties

Compound Nametrimethylsilyl 2-oxopropaneperoxoate
PubChem CID175228093
Molecular FormulaC6H12O4Si
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Nametrimethylsilyl 2-oxopropaneperoxoate
SMILESCC(=O)C(=O)OO[Si](C)(C)C
InChIInChI=1S/C6H12O4Si/c1-5(7)6(8)9-10-11(2,3)4/h1-4H3
InChIKeyUOROQKRAGALYPI-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-oxopropaneperoxoate?
The IUPAC name of trimethylsilyl 2-oxopropaneperoxoate (CID 175228093) is trimethylsilyl 2-oxopropaneperoxoate.
What is the SMILES notation for trimethylsilyl 2-oxopropaneperoxoate?
The canonical SMILES for trimethylsilyl 2-oxopropaneperoxoate is CC(=O)C(=O)OO[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-oxopropaneperoxoate?
The InChIKey is UOROQKRAGALYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4Si/c1-5(7)6(8)9-10-11(2,3)4/h1-4H3.
What are the key properties of trimethylsilyl 2-oxopropaneperoxoate?
trimethylsilyl 2-oxopropaneperoxoate has a molecular weight of 176.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-oxopropaneperoxoate is sourced from PubChem (CID 175228093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).