3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid

C7H16O6S — CID 11096357

IUPAC3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCOCCO
InChIInChI=1S/C7H16O6S/c8-2-4-13-6-5-12-3-1-7-14(9,10)11/h8H,1-7H2,(H,9,10,11)
InChIKeyDMIQGTAELYLYQQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.71
Rot. Bonds9

About 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid

3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid (PubChem CID 11096357) has the molecular formula C7H16O6S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid
PubChem CID11096357
Molecular FormulaC7H16O6S
Molecular Weight228.27 g/mol
Exact Mass228.07
IUPAC Name3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCOCCOCCO
InChIInChI=1S/C7H16O6S/c8-2-4-13-6-5-12-3-1-7-14(9,10)11/h8H,1-7H2,(H,9,10,11)
InChIKeyDMIQGTAELYLYQQ-UHFFFAOYSA-N
XLogP-0.71
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid (CID 11096357) is 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid is O=S(=O)(O)CCCOCCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid?
The InChIKey is DMIQGTAELYLYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6S/c8-2-4-13-6-5-12-3-1-7-14(9,10)11/h8H,1-7H2,(H,9,10,11).
What are the key properties of 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid?
3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid has a molecular weight of 228.27 g/mol, XLogP of -0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethoxy]propane-1-sulfonic acid is sourced from PubChem (CID 11096357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).