2-(2-hydroxyethoxy)ethyl methanesulfonate

C5H12O5S — CID 15742130

IUPAC2-(2-hydroxyethoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCO
InChIInChI=1S/C5H12O5S/c1-11(7,8)10-5-4-9-3-2-6/h6H,2-5H2,1H3
InChIKeyNENTXTVKVQPSTN-UHFFFAOYSA-N
MW184.21 g/mol
LogP-1.03
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl methanesulfonate

2-(2-hydroxyethoxy)ethyl methanesulfonate (PubChem CID 15742130) has the molecular formula C5H12O5S and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl methanesulfonate
PubChem CID15742130
Molecular FormulaC5H12O5S
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name2-(2-hydroxyethoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCO
InChIInChI=1S/C5H12O5S/c1-11(7,8)10-5-4-9-3-2-6/h6H,2-5H2,1H3
InChIKeyNENTXTVKVQPSTN-UHFFFAOYSA-N
XLogP-1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-1.03
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'}

Analyze 2-(2-hydroxyethoxy)ethyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl methanesulfonate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl methanesulfonate (CID 15742130) is 2-(2-hydroxyethoxy)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl methanesulfonate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl methanesulfonate is CS(=O)(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl methanesulfonate?
The InChIKey is NENTXTVKVQPSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5S/c1-11(7,8)10-5-4-9-3-2-6/h6H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl methanesulfonate?
2-(2-hydroxyethoxy)ethyl methanesulfonate has a molecular weight of 184.21 g/mol, XLogP of -1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl methanesulfonate is sourced from PubChem (CID 15742130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).