4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate

C8H10O6S2 — CID 87857202

IUPAC4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate
SMILESC=CS(=O)(=O)OCC#CCOS(=O)(=O)C=C
InChIInChI=1S/C8H10O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-4H,1-2,7-8H2
InChIKeyNEBRBSKTOWNWQI-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.03
Rot. Bonds6

About 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate

4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate (PubChem CID 87857202) has the molecular formula C8H10O6S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate.

Molecular Properties

Compound Name4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate
PubChem CID87857202
Molecular FormulaC8H10O6S2
Molecular Weight266.30 g/mol
Exact Mass265.99
IUPAC Name4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate
SMILESC=CS(=O)(=O)OCC#CCOS(=O)(=O)C=C
InChIInChI=1S/C8H10O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-4H,1-2,7-8H2
InChIKeyNEBRBSKTOWNWQI-UHFFFAOYSA-N
XLogP-0.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate?
The IUPAC name of 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate (CID 87857202) is 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate.
What is the SMILES notation for 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate?
The canonical SMILES for 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate is C=CS(=O)(=O)OCC#CCOS(=O)(=O)C=C.
What is the InChIKey of 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate?
The InChIKey is NEBRBSKTOWNWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-4H,1-2,7-8H2.
What are the key properties of 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate?
4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate has a molecular weight of 266.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonyloxybut-2-ynyl ethenesulfonate is sourced from PubChem (CID 87857202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).