diethyl ethene-1,1-disulfonate

C6H12O6S2 — CID 155069491

IUPACdiethyl ethene-1,1-disulfonate
SMILESC=C(S(=O)(=O)OCC)S(=O)(=O)OCC
InChIInChI=1S/C6H12O6S2/c1-4-11-13(7,8)6(3)14(9,10)12-5-2/h3-5H2,1-2H3
InChIKeySWVLLSAQWJPUOH-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.19
Rot. Bonds6

About diethyl ethene-1,1-disulfonate

diethyl ethene-1,1-disulfonate (PubChem CID 155069491) has the molecular formula C6H12O6S2 and a molecular weight of 244.29 g/mol. Its IUPAC name is diethyl ethene-1,1-disulfonate.

Molecular Properties

Compound Namediethyl ethene-1,1-disulfonate
PubChem CID155069491
Molecular FormulaC6H12O6S2
Molecular Weight244.29 g/mol
Exact Mass244.01
IUPAC Namediethyl ethene-1,1-disulfonate
SMILESC=C(S(=O)(=O)OCC)S(=O)(=O)OCC
InChIInChI=1S/C6H12O6S2/c1-4-11-13(7,8)6(3)14(9,10)12-5-2/h3-5H2,1-2H3
InChIKeySWVLLSAQWJPUOH-UHFFFAOYSA-N
XLogP0.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diethyl ethene-1,1-disulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl penta-2,4-diene-2-sulfonate
CID 156767902
ethyl hydrogen sulfate
CID 6004
dimethyl ethene-1,1-disulfonate
CID 86049791
diethyl sulfate;sulfuric acid
CID 158458335
ethyl 1-oxobut-2-ene-1-sulfonate
CID 174815397
CID 159839688
CID 159839688
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997
azane;ethyl hydrogen sulfate;2-methylprop-2-enoic acid
CID 174841515
ethyl (3E)-6-methylhepta-3,5-diene-3-sulfonate
CID 175637705
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
CID 174986471
CID 87964980
CID 87964980
CID 173432224
CID 173432224

Frequently Asked Questions

What is the IUPAC name of diethyl ethene-1,1-disulfonate?
The IUPAC name of diethyl ethene-1,1-disulfonate (CID 155069491) is diethyl ethene-1,1-disulfonate.
What is the SMILES notation for diethyl ethene-1,1-disulfonate?
The canonical SMILES for diethyl ethene-1,1-disulfonate is C=C(S(=O)(=O)OCC)S(=O)(=O)OCC.
What is the InChIKey of diethyl ethene-1,1-disulfonate?
The InChIKey is SWVLLSAQWJPUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6S2/c1-4-11-13(7,8)6(3)14(9,10)12-5-2/h3-5H2,1-2H3.
What are the key properties of diethyl ethene-1,1-disulfonate?
diethyl ethene-1,1-disulfonate has a molecular weight of 244.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl ethene-1,1-disulfonate is sourced from PubChem (CID 155069491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).