methyl 2-methoxyethanesulfonate

C4H10O4S — CID 59514922

IUPACmethyl 2-methoxyethanesulfonate
SMILESCOCCS(=O)(=O)OC
InChIInChI=1S/C4H10O4S/c1-7-3-4-9(5,6)8-2/h3-4H2,1-2H3
InChIKeyHVPQMMJKRHQOKK-UHFFFAOYSA-N
MW154.19 g/mol
LogP-0.39
Rot. Bonds4

About methyl 2-methoxyethanesulfonate

methyl 2-methoxyethanesulfonate (PubChem CID 59514922) has the molecular formula C4H10O4S and a molecular weight of 154.19 g/mol. Its IUPAC name is methyl 2-methoxyethanesulfonate.

Molecular Properties

Compound Namemethyl 2-methoxyethanesulfonate
PubChem CID59514922
Molecular FormulaC4H10O4S
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Namemethyl 2-methoxyethanesulfonate
SMILESCOCCS(=O)(=O)OC
InChIInChI=1S/C4H10O4S/c1-7-3-4-9(5,6)8-2/h3-4H2,1-2H3
InChIKeyHVPQMMJKRHQOKK-UHFFFAOYSA-N
XLogP-0.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyethanesulfonate?
The IUPAC name of methyl 2-methoxyethanesulfonate (CID 59514922) is methyl 2-methoxyethanesulfonate.
What is the SMILES notation for methyl 2-methoxyethanesulfonate?
The canonical SMILES for methyl 2-methoxyethanesulfonate is COCCS(=O)(=O)OC.
What is the InChIKey of methyl 2-methoxyethanesulfonate?
The InChIKey is HVPQMMJKRHQOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S/c1-7-3-4-9(5,6)8-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-methoxyethanesulfonate?
methyl 2-methoxyethanesulfonate has a molecular weight of 154.19 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyethanesulfonate is sourced from PubChem (CID 59514922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).