2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate

C8H12O6S2 — CID 123696788

IUPAC2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC=COS(=O)(=O)CC=C
InChIInChI=1S/C8H12O6S2/c1-3-7-15(9,10)13-5-6-14-16(11,12)8-4-2/h3-6H,1-2,7-8H2
InChIKeyJIQGXCLXIMGIID-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.52
Rot. Bonds8

About 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate

2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate (PubChem CID 123696788) has the molecular formula C8H12O6S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Name2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate
PubChem CID123696788
Molecular FormulaC8H12O6S2
Molecular Weight268.31 g/mol
Exact Mass268.01
IUPAC Name2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC=COS(=O)(=O)CC=C
InChIInChI=1S/C8H12O6S2/c1-3-7-15(9,10)13-5-6-14-16(11,12)8-4-2/h3-6H,1-2,7-8H2
InChIKeyJIQGXCLXIMGIID-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

Ethyl 2-propenesulfinate
CID 6366717
Oxo-prop-1-enyl-propoxy-sulfanylidene-lambda6-sulfane
CID 54203861
Allyl ethenesulfonate
CID 12134113
Prop-2-enyl prop-2-ene-1-sulfinate
CID 57291063
2-Propenyl 2-propenethiosulfonate
CID 88093432
Diethyleneglycol bis(allylsulfonate)
CID 88618590
2-Fluoroethyl prop-2-ene-1-sulfonate
CID 142698092
3-Fluoropropyl prop-2-ene-1-sulfonate
CID 142698093
2-Propene-1-sulfonic acid, 2-propenyl ester
CID 12134110
Butane-1,4-diyl bisprop-2-ene-1-sulfonate
CID 229682
Ethyl prop-2-ene-1-sulfonate
CID 261057
Ethyl prop-1-ene-1-sulfonate
CID 261058

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate?
The IUPAC name of 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate (CID 123696788) is 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate.
What is the SMILES notation for 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate?
The canonical SMILES for 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OC=COS(=O)(=O)CC=C.
What is the InChIKey of 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate?
The InChIKey is JIQGXCLXIMGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6S2/c1-3-7-15(9,10)13-5-6-14-16(11,12)8-4-2/h3-6H,1-2,7-8H2.
What are the key properties of 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate?
2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate 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 2-prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 123696788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).