bis(ethenyl) but-2-ene-1,4-disulfonate

C8H12O6S2 — CID 173425356

IUPACbis(ethenyl) but-2-ene-1,4-disulfonate
SMILESC=COS(=O)(=O)CC=CCS(=O)(=O)OC=C
InChIInChI=1S/C8H12O6S2/c1-3-13-15(9,10)7-5-6-8-16(11,12)14-4-2/h3-6H,1-2,7-8H2
InChIKeyPPGFIZDUWRKUJP-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.52
Rot. Bonds8

About bis(ethenyl) but-2-ene-1,4-disulfonate

bis(ethenyl) but-2-ene-1,4-disulfonate (PubChem CID 173425356) has the molecular formula C8H12O6S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is bis(ethenyl) but-2-ene-1,4-disulfonate.

Molecular Properties

Compound Namebis(ethenyl) but-2-ene-1,4-disulfonate
PubChem CID173425356
Molecular FormulaC8H12O6S2
Molecular Weight268.31 g/mol
Exact Mass268.01
IUPAC Namebis(ethenyl) but-2-ene-1,4-disulfonate
SMILESC=COS(=O)(=O)CC=CCS(=O)(=O)OC=C
InChIInChI=1S/C8H12O6S2/c1-3-13-15(9,10)7-5-6-8-16(11,12)14-4-2/h3-6H,1-2,7-8H2
InChIKeyPPGFIZDUWRKUJP-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethenyl hexadecane-1-sulfonate
CID 175557286
ethenyl phenylmethanesulfonate
CID 54312072
ethenyl 3,3,4,4,4-pentafluorobutane-1-sulfonate
CID 150042525
prop-2-enylsulfonyl prop-2-ene-1-sulfonate
CID 18671222
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 87786187
CID 174758420
CID 174758420
4-hexa-2,5-dienylsulfonyloxy-4-oxobutanoic acid
CID 175428700
ethane;ethenyl hydrogen sulfate;sulfuric acid
CID 175600765
methyl (E)-but-2-ene-1-sulfonate
CID 88537347
CID 173312842
CID 173312842
potassium;benzene;ethenyl sulfate
CID 174749179

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) but-2-ene-1,4-disulfonate?
The IUPAC name of bis(ethenyl) but-2-ene-1,4-disulfonate (CID 173425356) is bis(ethenyl) but-2-ene-1,4-disulfonate.
What is the SMILES notation for bis(ethenyl) but-2-ene-1,4-disulfonate?
The canonical SMILES for bis(ethenyl) but-2-ene-1,4-disulfonate is C=COS(=O)(=O)CC=CCS(=O)(=O)OC=C.
What is the InChIKey of bis(ethenyl) but-2-ene-1,4-disulfonate?
The InChIKey is PPGFIZDUWRKUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6S2/c1-3-13-15(9,10)7-5-6-8-16(11,12)14-4-2/h3-6H,1-2,7-8H2.
What are the key properties of bis(ethenyl) but-2-ene-1,4-disulfonate?
bis(ethenyl) but-2-ene-1,4-disulfonate 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 bis(ethenyl) but-2-ene-1,4-disulfonate is sourced from PubChem (CID 173425356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).