2-(2-hydroxyethoxy)ethyl butane-1-sulfonate

C8H18O5S — CID 154161522

IUPAC2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
SMILESCCCCS(=O)(=O)OCCOCCO
InChIInChI=1S/C8H18O5S/c1-2-3-8-14(10,11)13-7-6-12-5-4-9/h9H,2-8H2,1H3
InChIKeyHEOGKPWVVDRDDT-UHFFFAOYSA-N
MW226.29 g/mol
LogP0.14
Rot. Bonds9

About 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate

2-(2-hydroxyethoxy)ethyl butane-1-sulfonate (PubChem CID 154161522) has the molecular formula C8H18O5S and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
PubChem CID154161522
Molecular FormulaC8H18O5S
Molecular Weight226.29 g/mol
Exact Mass226.09
IUPAC Name2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
SMILESCCCCS(=O)(=O)OCCOCCO
InChIInChI=1S/C8H18O5S/c1-2-3-8-14(10,11)13-7-6-12-5-4-9/h9H,2-8H2,1H3
InChIKeyHEOGKPWVVDRDDT-UHFFFAOYSA-N
XLogP0.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
propyl butane-1-sulfonate
CID 12843900
dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 88766044
pentyl 2-hydroxyethanesulfonate
CID 87090117
2-(2-butoxyethoxy)ethyl ethanesulfonate
CID 139845349
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate
CID 174767901
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-(2-hydroxyethoxy)ethoxy propane-1-sulfonate
CID 23194496
butyl pentane-1-sulfonate
CID 87956203
2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
2-hexoxyethanol;sulfuric acid
CID 87749798

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate (CID 154161522) is 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate is CCCCS(=O)(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate?
The InChIKey is HEOGKPWVVDRDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5S/c1-2-3-8-14(10,11)13-7-6-12-5-4-9/h9H,2-8H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate?
2-(2-hydroxyethoxy)ethyl butane-1-sulfonate has a molecular weight of 226.29 g/mol, XLogP of 0.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl butane-1-sulfonate is sourced from PubChem (CID 154161522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).