4-ethenylsulfonyloxybut-2-enyl ethenesulfonate

C8H12O6S2 — CID 123832302

IUPAC4-ethenylsulfonyloxybut-2-enyl ethenesulfonate
SMILESC=CS(=O)(=O)OCC=CCOS(=O)(=O)C=C
InChIInChI=1S/C8H12O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-6H,1-2,7-8H2
InChIKeyBLDCHRVFJROZIH-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.52
Rot. Bonds8

About 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate

4-ethenylsulfonyloxybut-2-enyl ethenesulfonate (PubChem CID 123832302) has the molecular formula C8H12O6S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate.

Molecular Properties

Compound Name4-ethenylsulfonyloxybut-2-enyl ethenesulfonate
PubChem CID123832302
Molecular FormulaC8H12O6S2
Molecular Weight268.31 g/mol
Exact Mass268.01
IUPAC Name4-ethenylsulfonyloxybut-2-enyl ethenesulfonate
SMILESC=CS(=O)(=O)OCC=CCOS(=O)(=O)C=C
InChIInChI=1S/C8H12O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-6H,1-2,7-8H2
InChIKeyBLDCHRVFJROZIH-UHFFFAOYSA-N
XLogP0.52
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

fluoromethyl ethenesulfonate
CID 90383884
4-sulfooxybut-2-enyl hydrogen sulfate
CID 118676387
[3,5-bis(ethenylsulfonyloxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl ethenesulfonate
CID 90383848
prop-2-enyl pent-1-ene-1-sulfonate
CID 123535532
2-dimethoxyphosphorylethyl ethenesulfonate
CID 21396800
calcium;hydride;prop-2-enylperoxy ethenesulfonate
CID 174518124
prop-2-enyl (1E)-2-methylbuta-1,3-diene-1-sulfonate
CID 118386688
3-silylsulfonyloxyprop-1-ene
CID 173032447
lithium prop-2-enyl sulfate
CID 87403119
pent-2-enyl hydrogen sulfate
CID 151367529
ethenylsulfonyl propanoate
CID 174963868
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937

Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate?
The IUPAC name of 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate (CID 123832302) is 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate.
What is the SMILES notation for 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate?
The canonical SMILES for 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate is C=CS(=O)(=O)OCC=CCOS(=O)(=O)C=C.
What is the InChIKey of 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate?
The InChIKey is BLDCHRVFJROZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-6H,1-2,7-8H2.
What are the key properties of 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate?
4-ethenylsulfonyloxybut-2-enyl ethenesulfonate has a molecular weight of 268.31 g/mol, XLogP of 0.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonyloxybut-2-enyl ethenesulfonate is sourced from PubChem (CID 123832302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).