2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate

C8H18O6S — CID 12621272

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate
SMILESCOCCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C8H18O6S/c1-11-3-4-12-5-6-13-7-8-14-15(2,9)10/h3-8H2,1-2H3
InChIKeyZMRMMAUVJFLPIV-UHFFFAOYSA-N
MW242.29 g/mol
LogP-0.36
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate

2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate (PubChem CID 12621272) has the molecular formula C8H18O6S and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate
PubChem CID12621272
Molecular FormulaC8H18O6S
Molecular Weight242.29 g/mol
Exact Mass242.08
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate
SMILESCOCCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C8H18O6S/c1-11-3-4-12-5-6-13-7-8-14-15(2,9)10/h3-8H2,1-2H3
InChIKeyZMRMMAUVJFLPIV-UHFFFAOYSA-N
XLogP-0.36
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate (CID 12621272) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate is COCCOCCOCCOS(C)(=O)=O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate?
The InChIKey is ZMRMMAUVJFLPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6S/c1-11-3-4-12-5-6-13-7-8-14-15(2,9)10/h3-8H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate has a molecular weight of 242.29 g/mol, XLogP of -0.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 12621272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).