bis(4H-trioxine);dihydrochloride

C6H10Cl2O6 — CID 173077678

IUPACbis(4H-trioxine);dihydrochloride
SMILESC1=COOOC1.C1=COOOC1.Cl.Cl
InChIInChI=1S/2C3H4O3.2ClH/c2*1-2-4-6-5-3-1;;/h2*1-2H,3H2;2*1H
InChIKeyQVXHGMFHKMOJOR-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.63
Rot. Bonds

About bis(4H-trioxine);dihydrochloride

bis(4H-trioxine);dihydrochloride (PubChem CID 173077678) has the molecular formula C6H10Cl2O6 and a molecular weight of 249.05 g/mol. Its IUPAC name is bis(4H-trioxine);dihydrochloride.

Molecular Properties

Compound Namebis(4H-trioxine);dihydrochloride
PubChem CID173077678
Molecular FormulaC6H10Cl2O6
Molecular Weight249.05 g/mol
Exact Mass247.99
IUPAC Namebis(4H-trioxine);dihydrochloride
SMILESC1=COOOC1.C1=COOOC1.Cl.Cl
InChIInChI=1S/2C3H4O3.2ClH/c2*1-2-4-6-5-3-1;;/h2*1-2H,3H2;2*1H
InChIKeyQVXHGMFHKMOJOR-UHFFFAOYSA-N
XLogP1.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(4H-trioxine);dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4H-trioxine);dihydrochloride?
The IUPAC name of bis(4H-trioxine);dihydrochloride (CID 173077678) is bis(4H-trioxine);dihydrochloride.
What is the SMILES notation for bis(4H-trioxine);dihydrochloride?
The canonical SMILES for bis(4H-trioxine);dihydrochloride is C1=COOOC1.C1=COOOC1.Cl.Cl.
What is the InChIKey of bis(4H-trioxine);dihydrochloride?
The InChIKey is QVXHGMFHKMOJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4O3.2ClH/c2*1-2-4-6-5-3-1;;/h2*1-2H,3H2;2*1H.
What are the key properties of bis(4H-trioxine);dihydrochloride?
bis(4H-trioxine);dihydrochloride has a molecular weight of 249.05 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4H-trioxine);dihydrochloride is sourced from PubChem (CID 173077678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).