2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate

C7H12O4S — CID 87402148

IUPAC2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCC[C@@H]1C=CCO1
InChIInChI=1S/C7H12O4S/c1-12(8,9)11-6-4-7-3-2-5-10-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyBAAWQXHUENFAAZ-ZETCQYMHSA-N
MW192.24 g/mol
LogP0.31
Rot. Bonds4

About 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate

2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate (PubChem CID 87402148) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate
PubChem CID87402148
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCC[C@@H]1C=CCO1
InChIInChI=1S/C7H12O4S/c1-12(8,9)11-6-4-7-3-2-5-10-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyBAAWQXHUENFAAZ-ZETCQYMHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate?
The IUPAC name of 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate (CID 87402148) is 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate.
What is the SMILES notation for 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate?
The canonical SMILES for 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate is CS(=O)(=O)OCC[C@@H]1C=CCO1.
What is the InChIKey of 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate?
The InChIKey is BAAWQXHUENFAAZ-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of 2-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate?
2-[(2R)-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-[(2R)-2,5-dihydrofuran-2-yl]ethyl methanesulfonate is sourced from PubChem (CID 87402148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).