methyl 2-triethylsilylacetate

C9H20O2Si — CID 594302

IUPACmethyl 2-triethylsilylacetate
SMILESCC[Si](CC)(CC)CC(=O)OC
InChIInChI=1S/C9H20O2Si/c1-5-12(6-2,7-3)8-9(10)11-4/h5-8H2,1-4H3
InChIKeyQWWZZQYJSNMIHA-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.67
Rot. Bonds5

About methyl 2-triethylsilylacetate

methyl 2-triethylsilylacetate (PubChem CID 594302) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is methyl 2-triethylsilylacetate.

Molecular Properties

Compound Namemethyl 2-triethylsilylacetate
PubChem CID594302
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-triethylsilylacetate
SMILESCC[Si](CC)(CC)CC(=O)OC
InChIInChI=1S/C9H20O2Si/c1-5-12(6-2,7-3)8-9(10)11-4/h5-8H2,1-4H3
InChIKeyQWWZZQYJSNMIHA-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl 2-triethylsilylacetate?
The IUPAC name of methyl 2-triethylsilylacetate (CID 594302) is methyl 2-triethylsilylacetate.
What is the SMILES notation for methyl 2-triethylsilylacetate?
The canonical SMILES for methyl 2-triethylsilylacetate is CC[Si](CC)(CC)CC(=O)OC.
What is the InChIKey of methyl 2-triethylsilylacetate?
The InChIKey is QWWZZQYJSNMIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-12(6-2,7-3)8-9(10)11-4/h5-8H2,1-4H3.
What are the key properties of methyl 2-triethylsilylacetate?
methyl 2-triethylsilylacetate has a molecular weight of 188.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-triethylsilylacetate is sourced from PubChem (CID 594302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).