ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate

C8H14O6S — CID 13011574

IUPACethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)CC(=O)OCC
InChIInChI=1S/C8H14O6S/c1-3-13-7(9)5-15(11,12)6-8(10)14-4-2/h3-6H2,1-2H3
InChIKeyULJOCFYBBDRWIL-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.47
Rot. Bonds6

About ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate

ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate (PubChem CID 13011574) has the molecular formula C8H14O6S and a molecular weight of 238.26 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate
PubChem CID13011574
Molecular FormulaC8H14O6S
Molecular Weight238.26 g/mol
Exact Mass238.05
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)CC(=O)OCC
InChIInChI=1S/C8H14O6S/c1-3-13-7(9)5-15(11,12)6-8(10)14-4-2/h3-6H2,1-2H3
InChIKeyULJOCFYBBDRWIL-UHFFFAOYSA-N
XLogP-0.47
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate (CID 13011574) is ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate is CCOC(=O)CS(=O)(=O)CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate?
The InChIKey is ULJOCFYBBDRWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6S/c1-3-13-7(9)5-15(11,12)6-8(10)14-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate?
ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate has a molecular weight of 238.26 g/mol, XLogP of -0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)sulfonylacetate is sourced from PubChem (CID 13011574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).