(2-oxooxolan-3-yl) methanesulfonate

C5H8O5S — CID 72956293

IUPAC(2-oxooxolan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1CCOC1=O
InChIInChI=1S/C5H8O5S/c1-11(7,8)10-4-2-3-9-5(4)6/h4H,2-3H2,1H3
InChIKeyHAYCJJXWGKFZTP-UHFFFAOYSA-N
MW180.18 g/mol
LogP-0.72
Rot. Bonds2

About (2-oxooxolan-3-yl) methanesulfonate

(2-oxooxolan-3-yl) methanesulfonate (PubChem CID 72956293) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) methanesulfonate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) methanesulfonate
PubChem CID72956293
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name(2-oxooxolan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1CCOC1=O
InChIInChI=1S/C5H8O5S/c1-11(7,8)10-4-2-3-9-5(4)6/h4H,2-3H2,1H3
InChIKeyHAYCJJXWGKFZTP-UHFFFAOYSA-N
XLogP-0.72
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) methanesulfonate?
The IUPAC name of (2-oxooxolan-3-yl) methanesulfonate (CID 72956293) is (2-oxooxolan-3-yl) methanesulfonate.
What is the SMILES notation for (2-oxooxolan-3-yl) methanesulfonate?
The canonical SMILES for (2-oxooxolan-3-yl) methanesulfonate is CS(=O)(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) methanesulfonate?
The InChIKey is HAYCJJXWGKFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S/c1-11(7,8)10-4-2-3-9-5(4)6/h4H,2-3H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) methanesulfonate?
(2-oxooxolan-3-yl) methanesulfonate has a molecular weight of 180.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) methanesulfonate is sourced from PubChem (CID 72956293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).