2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate

C7H16O6S — CID 23194496

IUPAC2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate
SMILESCCCS(=O)(=O)OOCCOCCO
InChIInChI=1S/C7H16O6S/c1-2-7-14(9,10)13-12-6-5-11-4-3-8/h8H,2-7H2,1H3
InChIKeyBZIJAKFYRGKGCK-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.32
Rot. Bonds9

About 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate

2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate (PubChem CID 23194496) has the molecular formula C7H16O6S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate
PubChem CID23194496
Molecular FormulaC7H16O6S
Molecular Weight228.27 g/mol
Exact Mass228.07
IUPAC Name2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate
SMILESCCCS(=O)(=O)OOCCOCCO
InChIInChI=1S/C7H16O6S/c1-2-7-14(9,10)13-12-6-5-11-4-3-8/h8H,2-7H2,1H3
InChIKeyBZIJAKFYRGKGCK-UHFFFAOYSA-N
XLogP-0.32
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
CID 162169073
CID 162169073
2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
CID 154161522
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
ethoxyethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;propyl hydrogen sulfate
CID 87747917

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate?
The IUPAC name of 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate (CID 23194496) is 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate is CCCS(=O)(=O)OOCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate?
The InChIKey is BZIJAKFYRGKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6S/c1-2-7-14(9,10)13-12-6-5-11-4-3-8/h8H,2-7H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate?
2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate has a molecular weight of 228.27 g/mol, XLogP of -0.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate is sourced from PubChem (CID 23194496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).