ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate

C6H10O6S — CID 87125679

IUPACethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
SMILESCCOS(=O)(=O)CC1COC(=O)O1
InChIInChI=1S/C6H10O6S/c1-2-11-13(8,9)4-5-3-10-6(7)12-5/h5H,2-4H2,1H3
InChIKeyGIQAHCAAVHEWKF-UHFFFAOYSA-N
MW210.21 g/mol
LogP-0.11
Rot. Bonds4

About ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate

ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate (PubChem CID 87125679) has the molecular formula C6H10O6S and a molecular weight of 210.21 g/mol. Its IUPAC name is ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate.

Molecular Properties

Compound Nameethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
PubChem CID87125679
Molecular FormulaC6H10O6S
Molecular Weight210.21 g/mol
Exact Mass210.02
IUPAC Nameethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
SMILESCCOS(=O)(=O)CC1COC(=O)O1
InChIInChI=1S/C6H10O6S/c1-2-11-13(8,9)4-5-3-10-6(7)12-5/h5H,2-4H2,1H3
InChIKeyGIQAHCAAVHEWKF-UHFFFAOYSA-N
XLogP-0.11
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate?
The IUPAC name of ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate (CID 87125679) is ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate.
What is the SMILES notation for ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate?
The canonical SMILES for ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate is CCOS(=O)(=O)CC1COC(=O)O1.
What is the InChIKey of ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate?
The InChIKey is GIQAHCAAVHEWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6S/c1-2-11-13(8,9)4-5-3-10-6(7)12-5/h5H,2-4H2,1H3.
What are the key properties of ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate?
ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate has a molecular weight of 210.21 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate is sourced from PubChem (CID 87125679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).