1,2-dioxine

C4H4O2 — CID 15559065

IUPAC1,2-dioxine
SMILESC1=COOC=C1
InChIInChI=1S/C4H4O2/c1-2-4-6-5-3-1/h1-4H
InChIKeyVCZQYTJRWNRPHF-UHFFFAOYSA-N
MW84.07 g/mol
LogP0.98
Rot. Bonds

About 1,2-dioxine

1,2-dioxine (PubChem CID 15559065) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is 1,2-dioxine.

Molecular Properties

Compound Name1,2-dioxine
PubChem CID15559065
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Name1,2-dioxine
SMILESC1=COOC=C1
InChIInChI=1S/C4H4O2/c1-2-4-6-5-3-1/h1-4H
InChIKeyVCZQYTJRWNRPHF-UHFFFAOYSA-N
XLogP0.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioxine?
The IUPAC name of 1,2-dioxine (CID 15559065) is 1,2-dioxine.
What is the SMILES notation for 1,2-dioxine?
The canonical SMILES for 1,2-dioxine is C1=COOC=C1.
What is the InChIKey of 1,2-dioxine?
The InChIKey is VCZQYTJRWNRPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2/c1-2-4-6-5-3-1/h1-4H.
What are the key properties of 1,2-dioxine?
1,2-dioxine has a molecular weight of 84.07 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxine is sourced from PubChem (CID 15559065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).