2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid

C8H18O7S — CID 13304331

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCOCCOCCO
InChIInChI=1S/C8H18O7S/c9-1-2-13-3-4-14-5-6-15-7-8-16(10,11)12/h9H,1-8H2,(H,10,11,12)
InChIKeyPWODSFSRWAVESG-UHFFFAOYSA-N
MW258.29 g/mol
LogP-1.08
Rot. Bonds11

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid (PubChem CID 13304331) has the molecular formula C8H18O7S and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
PubChem CID13304331
Molecular FormulaC8H18O7S
Molecular Weight258.29 g/mol
Exact Mass258.08
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
SMILESO=S(=O)(O)CCOCCOCCOCCO
InChIInChI=1S/C8H18O7S/c9-1-2-13-3-4-14-5-6-15-7-8-16(10,11)12/h9H,1-8H2,(H,10,11,12)
InChIKeyPWODSFSRWAVESG-UHFFFAOYSA-N
XLogP-1.08
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid (CID 13304331) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid is O=S(=O)(O)CCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
The InChIKey is PWODSFSRWAVESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O7S/c9-1-2-13-3-4-14-5-6-15-7-8-16(10,11)12/h9H,1-8H2,(H,10,11,12).
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid has a molecular weight of 258.29 g/mol, XLogP of -1.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid is sourced from PubChem (CID 13304331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).