bis(trioxane);hydrobromide

C6H13BrO6 — CID 87292211

IUPACbis(trioxane);hydrobromide
SMILESBr.C1COOOC1.C1COOOC1
InChIInChI=1S/2C3H6O3.BrH/c2*1-2-4-6-5-3-1;/h2*1-3H2;1H
InChIKeyZQANIIUEGQASRR-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.12
Rot. Bonds

About bis(trioxane);hydrobromide

bis(trioxane);hydrobromide (PubChem CID 87292211) has the molecular formula C6H13BrO6 and a molecular weight of 261.07 g/mol. Its IUPAC name is bis(trioxane);hydrobromide.

Molecular Properties

Compound Namebis(trioxane);hydrobromide
PubChem CID87292211
Molecular FormulaC6H13BrO6
Molecular Weight261.07 g/mol
Exact Mass259.99
IUPAC Namebis(trioxane);hydrobromide
SMILESBr.C1COOOC1.C1COOOC1
InChIInChI=1S/2C3H6O3.BrH/c2*1-2-4-6-5-3-1;/h2*1-3H2;1H
InChIKeyZQANIIUEGQASRR-UHFFFAOYSA-N
XLogP1.12
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trioxane);hydrobromide?
The IUPAC name of bis(trioxane);hydrobromide (CID 87292211) is bis(trioxane);hydrobromide.
What is the SMILES notation for bis(trioxane);hydrobromide?
The canonical SMILES for bis(trioxane);hydrobromide is Br.C1COOOC1.C1COOOC1.
What is the InChIKey of bis(trioxane);hydrobromide?
The InChIKey is ZQANIIUEGQASRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O3.BrH/c2*1-2-4-6-5-3-1;/h2*1-3H2;1H.
What are the key properties of bis(trioxane);hydrobromide?
bis(trioxane);hydrobromide has a molecular weight of 261.07 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trioxane);hydrobromide is sourced from PubChem (CID 87292211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).