bis(prop-2-enyl) prop-2-ene-1,1-disulfonate

C9H14O6S2 — CID 87135705

IUPACbis(prop-2-enyl) prop-2-ene-1,1-disulfonate
SMILESC=CCOS(=O)(=O)C(C=C)S(=O)(=O)OCC=C
InChIInChI=1S/C9H14O6S2/c1-4-7-14-16(10,11)9(6-3)17(12,13)15-8-5-2/h4-6,9H,1-3,7-8H2
InChIKeyZBHWFGRGNKSAJT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.56
Rot. Bonds9

About bis(prop-2-enyl) prop-2-ene-1,1-disulfonate

bis(prop-2-enyl) prop-2-ene-1,1-disulfonate (PubChem CID 87135705) has the molecular formula C9H14O6S2 and a molecular weight of 282.34 g/mol. Its IUPAC name is bis(prop-2-enyl) prop-2-ene-1,1-disulfonate.

Molecular Properties

Compound Namebis(prop-2-enyl) prop-2-ene-1,1-disulfonate
PubChem CID87135705
Molecular FormulaC9H14O6S2
Molecular Weight282.34 g/mol
Exact Mass282.02
IUPAC Namebis(prop-2-enyl) prop-2-ene-1,1-disulfonate
SMILESC=CCOS(=O)(=O)C(C=C)S(=O)(=O)OCC=C
InChIInChI=1S/C9H14O6S2/c1-4-7-14-16(10,11)9(6-3)17(12,13)15-8-5-2/h4-6,9H,1-3,7-8H2
InChIKeyZBHWFGRGNKSAJT-UHFFFAOYSA-N
XLogP0.56
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(prop-2-enyl) prop-2-ene-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

(E)-2-Propenyl (3-(2-propenylthio)-2-propenyl) sulfate
CID 10977885
(z)-Allyl thiosulfate
CID 57507750
Allyl ethenesulfonate
CID 12134113
Prop-2-enyl 3-prop-2-enylsulfanylprop-2-enyl sulfate
CID 85353315
Prop-2-enyl prop-2-ene-1-sulfinate
CID 57291063
2-Propenyl 2-propenethiosulfonate
CID 88093432
1-Fluoroprop-2-enyl prop-2-ene-1-sulfonate
CID 117764324
Prop-2-enyl 1-fluoroprop-2-ene-1-sulfonate
CID 117764325
Prop-2-enyl 3-fluoroprop-2-ene-1-sulfonate
CID 173561859
2-Propene-1-sulfonic acid, 2-propenyl ester
CID 12134110
Butane-1,4-diyl bisprop-2-ene-1-sulfonate
CID 229682
Ethyl prop-2-ene-1-sulfonate
CID 261057

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) prop-2-ene-1,1-disulfonate?
The IUPAC name of bis(prop-2-enyl) prop-2-ene-1,1-disulfonate (CID 87135705) is bis(prop-2-enyl) prop-2-ene-1,1-disulfonate.
What is the SMILES notation for bis(prop-2-enyl) prop-2-ene-1,1-disulfonate?
The canonical SMILES for bis(prop-2-enyl) prop-2-ene-1,1-disulfonate is C=CCOS(=O)(=O)C(C=C)S(=O)(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) prop-2-ene-1,1-disulfonate?
The InChIKey is ZBHWFGRGNKSAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6S2/c1-4-7-14-16(10,11)9(6-3)17(12,13)15-8-5-2/h4-6,9H,1-3,7-8H2.
What are the key properties of bis(prop-2-enyl) prop-2-ene-1,1-disulfonate?
bis(prop-2-enyl) prop-2-ene-1,1-disulfonate has a molecular weight of 282.34 g/mol, XLogP of 0.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) prop-2-ene-1,1-disulfonate is sourced from PubChem (CID 87135705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).