1-ethenylsulfonyloxyethyl ethenesulfonate

C6H10O6S2 — CID 175406937

IUPAC1-ethenylsulfonyloxyethyl ethenesulfonate
SMILESC=CS(=O)(=O)OC(C)OS(=O)(=O)C=C
InChIInChI=1S/C6H10O6S2/c1-4-13(7,8)11-6(3)12-14(9,10)5-2/h4-6H,1-2H2,3H3
InChIKeyXFIOLNABHCKVQF-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.31
Rot. Bonds6

About 1-ethenylsulfonyloxyethyl ethenesulfonate

1-ethenylsulfonyloxyethyl ethenesulfonate (PubChem CID 175406937) has the molecular formula C6H10O6S2 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-ethenylsulfonyloxyethyl ethenesulfonate.

Molecular Properties

Compound Name1-ethenylsulfonyloxyethyl ethenesulfonate
PubChem CID175406937
Molecular FormulaC6H10O6S2
Molecular Weight242.27 g/mol
Exact Mass241.99
IUPAC Name1-ethenylsulfonyloxyethyl ethenesulfonate
SMILESC=CS(=O)(=O)OC(C)OS(=O)(=O)C=C
InChIInChI=1S/C6H10O6S2/c1-4-13(7,8)11-6(3)12-14(9,10)5-2/h4-6H,1-2H2,3H3
InChIKeyXFIOLNABHCKVQF-UHFFFAOYSA-N
XLogP0.31
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate
CID 87857105
fluoromethyl ethenesulfonate
CID 90383884
(3S)-2,3-bis(ethenylsulfonyl)butane
CID 159569958
2,3-bis(ethenylsulfonyl)butane
CID 158758752
1-aminoethenyl ethenesulfonate
CID 174374088
prop-1-ynyl ethenesulfonate
CID 87857498
1,1,2,2,2-pentafluoroethyl ethenesulfonate
CID 90383879
but-3-ene-2-sulfonyl fluoride
CID 174353876
ethenylsulfonyl propanoate
CID 174963868
3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride
CID 161465495
2-ethenylsulfonylpropanal
CID 173389769
ethenoxyethene;fluoromethane;sulfurofluoridic acid
CID 20552533

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyloxyethyl ethenesulfonate?
The IUPAC name of 1-ethenylsulfonyloxyethyl ethenesulfonate (CID 175406937) is 1-ethenylsulfonyloxyethyl ethenesulfonate.
What is the SMILES notation for 1-ethenylsulfonyloxyethyl ethenesulfonate?
The canonical SMILES for 1-ethenylsulfonyloxyethyl ethenesulfonate is C=CS(=O)(=O)OC(C)OS(=O)(=O)C=C.
What is the InChIKey of 1-ethenylsulfonyloxyethyl ethenesulfonate?
The InChIKey is XFIOLNABHCKVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6S2/c1-4-13(7,8)11-6(3)12-14(9,10)5-2/h4-6H,1-2H2,3H3.
What are the key properties of 1-ethenylsulfonyloxyethyl ethenesulfonate?
1-ethenylsulfonyloxyethyl ethenesulfonate has a molecular weight of 242.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyloxyethyl ethenesulfonate is sourced from PubChem (CID 175406937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).