2-oxopropyl 2-trimethylsilylacetate

C8H16O3Si — CID 14545303

IUPAC2-oxopropyl 2-trimethylsilylacetate
SMILESCC(=O)COC(=O)C[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-7(9)5-11-8(10)6-12(2,3)4/h5-6H2,1-4H3
InChIKeyYMDAWUSSXQBWLG-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.46
Rot. Bonds4

About 2-oxopropyl 2-trimethylsilylacetate

2-oxopropyl 2-trimethylsilylacetate (PubChem CID 14545303) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-oxopropyl 2-trimethylsilylacetate.

Molecular Properties

Compound Name2-oxopropyl 2-trimethylsilylacetate
PubChem CID14545303
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name2-oxopropyl 2-trimethylsilylacetate
SMILESCC(=O)COC(=O)C[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-7(9)5-11-8(10)6-12(2,3)4/h5-6H2,1-4H3
InChIKeyYMDAWUSSXQBWLG-UHFFFAOYSA-N
XLogP1.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-trimethylsilylacetate?
The IUPAC name of 2-oxopropyl 2-trimethylsilylacetate (CID 14545303) is 2-oxopropyl 2-trimethylsilylacetate.
What is the SMILES notation for 2-oxopropyl 2-trimethylsilylacetate?
The canonical SMILES for 2-oxopropyl 2-trimethylsilylacetate is CC(=O)COC(=O)C[Si](C)(C)C.
What is the InChIKey of 2-oxopropyl 2-trimethylsilylacetate?
The InChIKey is YMDAWUSSXQBWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-7(9)5-11-8(10)6-12(2,3)4/h5-6H2,1-4H3.
What are the key properties of 2-oxopropyl 2-trimethylsilylacetate?
2-oxopropyl 2-trimethylsilylacetate has a molecular weight of 188.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-trimethylsilylacetate is sourced from PubChem (CID 14545303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).