tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate

C11H24O6S — CID 58408706

IUPACtert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate
SMILESCOCCOCCOCCS(=O)(=O)OC(C)(C)C
InChIInChI=1S/C11H24O6S/c1-11(2,3)17-18(12,13)10-9-16-8-7-15-6-5-14-4/h5-10H2,1-4H3
InChIKeyLJLHPRPIPFIMEQ-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.81
Rot. Bonds10

About tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate

tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate (PubChem CID 58408706) has the molecular formula C11H24O6S and a molecular weight of 284.37 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate
PubChem CID58408706
Molecular FormulaC11H24O6S
Molecular Weight284.37 g/mol
Exact Mass284.13
IUPAC Nametert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate
SMILESCOCCOCCOCCS(=O)(=O)OC(C)(C)C
InChIInChI=1S/C11H24O6S/c1-11(2,3)17-18(12,13)10-9-16-8-7-15-6-5-14-4/h5-10H2,1-4H3
InChIKeyLJLHPRPIPFIMEQ-UHFFFAOYSA-N
XLogP0.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.81
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 tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate?
The IUPAC name of tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate (CID 58408706) is tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate.
What is the SMILES notation for tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate?
The canonical SMILES for tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate is COCCOCCOCCS(=O)(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate?
The InChIKey is LJLHPRPIPFIMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6S/c1-11(2,3)17-18(12,13)10-9-16-8-7-15-6-5-14-4/h5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate?
tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate has a molecular weight of 284.37 g/mol, XLogP of 0.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate is sourced from PubChem (CID 58408706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).