ethanesulfonic acid;ethenyl acetate

C6H12O5S — CID 162235632

IUPACethanesulfonic acid;ethenyl acetate
SMILESC=COC(C)=O.CCS(=O)(=O)O
InChIInChI=1S/C4H6O2.C2H6O3S/c1-3-6-4(2)5;1-2-6(3,4)5/h3H,1H2,2H3;2H2,1H3,(H,3,4,5)
InChIKeyZWABHGIOFRHUNN-UHFFFAOYSA-N
MW196.22 g/mol
LogP0.59
Rot. Bonds2

About ethanesulfonic acid;ethenyl acetate

ethanesulfonic acid;ethenyl acetate (PubChem CID 162235632) has the molecular formula C6H12O5S and a molecular weight of 196.22 g/mol. Its IUPAC name is ethanesulfonic acid;ethenyl acetate.

Molecular Properties

Compound Nameethanesulfonic acid;ethenyl acetate
PubChem CID162235632
Molecular FormulaC6H12O5S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Nameethanesulfonic acid;ethenyl acetate
SMILESC=COC(C)=O.CCS(=O)(=O)O
InChIInChI=1S/C4H6O2.C2H6O3S/c1-3-6-4(2)5;1-2-6(3,4)5/h3H,1H2,2H3;2H2,1H3,(H,3,4,5)
InChIKeyZWABHGIOFRHUNN-UHFFFAOYSA-N
XLogP0.59
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;ethenyl acetate?
The IUPAC name of ethanesulfonic acid;ethenyl acetate (CID 162235632) is ethanesulfonic acid;ethenyl acetate.
What is the SMILES notation for ethanesulfonic acid;ethenyl acetate?
The canonical SMILES for ethanesulfonic acid;ethenyl acetate is C=COC(C)=O.CCS(=O)(=O)O.
What is the InChIKey of ethanesulfonic acid;ethenyl acetate?
The InChIKey is ZWABHGIOFRHUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H6O3S/c1-3-6-4(2)5;1-2-6(3,4)5/h3H,1H2,2H3;2H2,1H3,(H,3,4,5).
What are the key properties of ethanesulfonic acid;ethenyl acetate?
ethanesulfonic acid;ethenyl acetate has a molecular weight of 196.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;ethenyl acetate is sourced from PubChem (CID 162235632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).