but-2-ene-1,4-disulfonic acid

C4H8O6S2 — CID 54525141

IUPACbut-2-ene-1,4-disulfonic acid
SMILESO=S(=O)(O)CC=CCS(=O)(=O)O
InChIInChI=1S/C4H8O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10)
InChIKeyYSPMJEYGKWAUHA-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.68
Rot. Bonds4

About but-2-ene-1,4-disulfonic acid

but-2-ene-1,4-disulfonic acid (PubChem CID 54525141) has the molecular formula C4H8O6S2 and a molecular weight of 216.24 g/mol. Its IUPAC name is but-2-ene-1,4-disulfonic acid.

Molecular Properties

Compound Namebut-2-ene-1,4-disulfonic acid
PubChem CID54525141
Molecular FormulaC4H8O6S2
Molecular Weight216.24 g/mol
Exact Mass215.98
IUPAC Namebut-2-ene-1,4-disulfonic acid
SMILESO=S(=O)(O)CC=CCS(=O)(=O)O
InChIInChI=1S/C4H8O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10)
InChIKeyYSPMJEYGKWAUHA-UHFFFAOYSA-N
XLogP-0.68
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-ene-1,4-disulfonic acid?
The IUPAC name of but-2-ene-1,4-disulfonic acid (CID 54525141) is but-2-ene-1,4-disulfonic acid.
What is the SMILES notation for but-2-ene-1,4-disulfonic acid?
The canonical SMILES for but-2-ene-1,4-disulfonic acid is O=S(=O)(O)CC=CCS(=O)(=O)O.
What is the InChIKey of but-2-ene-1,4-disulfonic acid?
The InChIKey is YSPMJEYGKWAUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-2H,3-4H2,(H,5,6,7)(H,8,9,10).
What are the key properties of but-2-ene-1,4-disulfonic acid?
but-2-ene-1,4-disulfonic acid has a molecular weight of 216.24 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene-1,4-disulfonic acid is sourced from PubChem (CID 54525141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).