2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate

C7H12O4S — CID 87402149

IUPAC2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1C=CCO1
InChIInChI=1S/C7H12O4S/c1-12(8,9)11-6-4-7-3-2-5-10-7/h2-3,7H,4-6H2,1H3
InChIKeyBAAWQXHUENFAAZ-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.31
Rot. Bonds4

About 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate

2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate (PubChem CID 87402149) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate
PubChem CID87402149
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCC1C=CCO1
InChIInChI=1S/C7H12O4S/c1-12(8,9)11-6-4-7-3-2-5-10-7/h2-3,7H,4-6H2,1H3
InChIKeyBAAWQXHUENFAAZ-UHFFFAOYSA-N
XLogP0.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-(2,5-dihydrofuran-2-yl)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-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
The IUPAC name of 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate (CID 87402149) is 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate.
What is the SMILES notation for 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
The canonical SMILES for 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate is CS(=O)(=O)OCCC1C=CCO1.
What is the InChIKey of 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
The InChIKey is BAAWQXHUENFAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-12(8,9)11-6-4-7-3-2-5-10-7/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate?
2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate has a molecular weight of 192.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrofuran-2-yl)ethyl methanesulfonate is sourced from PubChem (CID 87402149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).