methyl 2-ethylsulfonyl-2-methoxyacetate

C6H12O5S — CID 91703082

IUPACmethyl 2-ethylsulfonyl-2-methoxyacetate
SMILESCCS(=O)(=O)C(OC)C(=O)OC
InChIInChI=1S/C6H12O5S/c1-4-12(8,9)6(11-3)5(7)10-2/h6H,4H2,1-3H3
InChIKeyHCSOONNWNNUBRI-UHFFFAOYSA-N
MW196.22 g/mol
LogP-0.43
Rot. Bonds4

About methyl 2-ethylsulfonyl-2-methoxyacetate

methyl 2-ethylsulfonyl-2-methoxyacetate (PubChem CID 91703082) has the molecular formula C6H12O5S and a molecular weight of 196.22 g/mol. Its IUPAC name is methyl 2-ethylsulfonyl-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-ethylsulfonyl-2-methoxyacetate
PubChem CID91703082
Molecular FormulaC6H12O5S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Namemethyl 2-ethylsulfonyl-2-methoxyacetate
SMILESCCS(=O)(=O)C(OC)C(=O)OC
InChIInChI=1S/C6H12O5S/c1-4-12(8,9)6(11-3)5(7)10-2/h6H,4H2,1-3H3
InChIKeyHCSOONNWNNUBRI-UHFFFAOYSA-N
XLogP-0.43
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylsulfonyl-2-methoxyacetate?
The IUPAC name of methyl 2-ethylsulfonyl-2-methoxyacetate (CID 91703082) is methyl 2-ethylsulfonyl-2-methoxyacetate.
What is the SMILES notation for methyl 2-ethylsulfonyl-2-methoxyacetate?
The canonical SMILES for methyl 2-ethylsulfonyl-2-methoxyacetate is CCS(=O)(=O)C(OC)C(=O)OC.
What is the InChIKey of methyl 2-ethylsulfonyl-2-methoxyacetate?
The InChIKey is HCSOONNWNNUBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5S/c1-4-12(8,9)6(11-3)5(7)10-2/h6H,4H2,1-3H3.
What are the key properties of methyl 2-ethylsulfonyl-2-methoxyacetate?
methyl 2-ethylsulfonyl-2-methoxyacetate has a molecular weight of 196.22 g/mol, XLogP of -0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylsulfonyl-2-methoxyacetate is sourced from PubChem (CID 91703082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).