2-(2-methoxyethoxy)ethyl ethanesulfonate

C7H16O5S — CID 139845445

IUPAC2-(2-methoxyethoxy)ethyl ethanesulfonate
SMILESCCS(=O)(=O)OCCOCCOC
InChIInChI=1S/C7H16O5S/c1-3-13(8,9)12-7-6-11-5-4-10-2/h3-7H2,1-2H3
InChIKeyDAYJZXVKDYPTMK-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.02
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl ethanesulfonate

2-(2-methoxyethoxy)ethyl ethanesulfonate (PubChem CID 139845445) has the molecular formula C7H16O5S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl ethanesulfonate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl ethanesulfonate
PubChem CID139845445
Molecular FormulaC7H16O5S
Molecular Weight212.27 g/mol
Exact Mass212.07
IUPAC Name2-(2-methoxyethoxy)ethyl ethanesulfonate
SMILESCCS(=O)(=O)OCCOCCOC
InChIInChI=1S/C7H16O5S/c1-3-13(8,9)12-7-6-11-5-4-10-2/h3-7H2,1-2H3
InChIKeyDAYJZXVKDYPTMK-UHFFFAOYSA-N
XLogP0.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl ethanesulfonate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl ethanesulfonate (CID 139845445) is 2-(2-methoxyethoxy)ethyl ethanesulfonate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl ethanesulfonate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl ethanesulfonate is CCS(=O)(=O)OCCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl ethanesulfonate?
The InChIKey is DAYJZXVKDYPTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5S/c1-3-13(8,9)12-7-6-11-5-4-10-2/h3-7H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl ethanesulfonate?
2-(2-methoxyethoxy)ethyl ethanesulfonate has a molecular weight of 212.27 g/mol, XLogP of 0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl ethanesulfonate is sourced from PubChem (CID 139845445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).