4-ethenylsulfonyloxybutyl ethenesulfonate

C8H14O6S2 — CID 87857315

IUPAC4-ethenylsulfonyloxybutyl ethenesulfonate
SMILESC=CS(=O)(=O)OCCCCOS(=O)(=O)C=C
InChIInChI=1S/C8H14O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-4H,1-2,5-8H2
InChIKeyFBOXAZCIMRGFLB-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.75
Rot. Bonds9

About 4-ethenylsulfonyloxybutyl ethenesulfonate

4-ethenylsulfonyloxybutyl ethenesulfonate (PubChem CID 87857315) has the molecular formula C8H14O6S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-ethenylsulfonyloxybutyl ethenesulfonate.

Molecular Properties

Compound Name4-ethenylsulfonyloxybutyl ethenesulfonate
PubChem CID87857315
Molecular FormulaC8H14O6S2
Molecular Weight270.33 g/mol
Exact Mass270.02
IUPAC Name4-ethenylsulfonyloxybutyl ethenesulfonate
SMILESC=CS(=O)(=O)OCCCCOS(=O)(=O)C=C
InChIInChI=1S/C8H14O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-4H,1-2,5-8H2
InChIKeyFBOXAZCIMRGFLB-UHFFFAOYSA-N
XLogP0.75
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfonyloxybutyl ethenesulfonate?
The IUPAC name of 4-ethenylsulfonyloxybutyl ethenesulfonate (CID 87857315) is 4-ethenylsulfonyloxybutyl ethenesulfonate.
What is the SMILES notation for 4-ethenylsulfonyloxybutyl ethenesulfonate?
The canonical SMILES for 4-ethenylsulfonyloxybutyl ethenesulfonate is C=CS(=O)(=O)OCCCCOS(=O)(=O)C=C.
What is the InChIKey of 4-ethenylsulfonyloxybutyl ethenesulfonate?
The InChIKey is FBOXAZCIMRGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6S2/c1-3-15(9,10)13-7-5-6-8-14-16(11,12)4-2/h3-4H,1-2,5-8H2.
What are the key properties of 4-ethenylsulfonyloxybutyl ethenesulfonate?
4-ethenylsulfonyloxybutyl ethenesulfonate has a molecular weight of 270.33 g/mol, XLogP of 0.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfonyloxybutyl ethenesulfonate is sourced from PubChem (CID 87857315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).