2-(2-butoxyethoxy)ethyl ethanesulfonate

C10H22O5S — CID 139845349

IUPAC2-(2-butoxyethoxy)ethyl ethanesulfonate
SMILESCCCCOCCOCCOS(=O)(=O)CC
InChIInChI=1S/C10H22O5S/c1-3-5-6-13-7-8-14-9-10-15-16(11,12)4-2/h3-10H2,1-2H3
InChIKeyFOACYPLYSJRLAD-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.19
Rot. Bonds11

About 2-(2-butoxyethoxy)ethyl ethanesulfonate

2-(2-butoxyethoxy)ethyl ethanesulfonate (PubChem CID 139845349) has the molecular formula C10H22O5S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl ethanesulfonate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl ethanesulfonate
PubChem CID139845349
Molecular FormulaC10H22O5S
Molecular Weight254.35 g/mol
Exact Mass254.12
IUPAC Name2-(2-butoxyethoxy)ethyl ethanesulfonate
SMILESCCCCOCCOCCOS(=O)(=O)CC
InChIInChI=1S/C10H22O5S/c1-3-5-6-13-7-8-14-9-10-15-16(11,12)4-2/h3-10H2,1-2H3
InChIKeyFOACYPLYSJRLAD-UHFFFAOYSA-N
XLogP1.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
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-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
pentyl ethanesulfonate
CID 19609002
bis[3-(2-butoxyethoxy)propyl] sulfate
CID 139845241
calcium;2-butoxyethyl hydrogen sulfate;hydride
CID 173344418
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
3-ethylsulfonyloxypropyl ethanesulfonate
CID 87127972
2-[2-(4-octylphenyl)ethoxy]ethyl ethanesulfonate
CID 57108809
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
2-(2-hydroxyethoxy)ethyl butane-1-sulfonate
CID 154161522
2-(2-octadecoxyethoxy)ethyl hydrogen sulfate
CID 100956617
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethyl sulfate
CID 171151962
2-octoxyethyl sulfate
CID 59378503

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl ethanesulfonate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl ethanesulfonate (CID 139845349) is 2-(2-butoxyethoxy)ethyl ethanesulfonate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl ethanesulfonate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl ethanesulfonate is CCCCOCCOCCOS(=O)(=O)CC.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl ethanesulfonate?
The InChIKey is FOACYPLYSJRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5S/c1-3-5-6-13-7-8-14-9-10-15-16(11,12)4-2/h3-10H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl ethanesulfonate?
2-(2-butoxyethoxy)ethyl ethanesulfonate has a molecular weight of 254.35 g/mol, XLogP of 1.19, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl ethanesulfonate is sourced from PubChem (CID 139845349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).