hydrogen peroxide;oxane-2,6-dione

C5H8O5 — CID 90659438

IUPAChydrogen peroxide;oxane-2,6-dione
SMILESO=C1CCCC(=O)O1.OO
InChIInChI=1S/C5H6O3.H2O2/c6-4-2-1-3-5(7)8-4;1-2/h1-3H2;1-2H
InChIKeyWISZGCRYBPQNFH-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.26
Rot. Bonds

About hydrogen peroxide;oxane-2,6-dione

hydrogen peroxide;oxane-2,6-dione (PubChem CID 90659438) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is hydrogen peroxide;oxane-2,6-dione.

Molecular Properties

Compound Namehydrogen peroxide;oxane-2,6-dione
PubChem CID90659438
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Namehydrogen peroxide;oxane-2,6-dione
SMILESO=C1CCCC(=O)O1.OO
InChIInChI=1S/C5H6O3.H2O2/c6-4-2-1-3-5(7)8-4;1-2/h1-3H2;1-2H
InChIKeyWISZGCRYBPQNFH-UHFFFAOYSA-N
XLogP0.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;oxane-2,6-dione?
The IUPAC name of hydrogen peroxide;oxane-2,6-dione (CID 90659438) is hydrogen peroxide;oxane-2,6-dione.
What is the SMILES notation for hydrogen peroxide;oxane-2,6-dione?
The canonical SMILES for hydrogen peroxide;oxane-2,6-dione is O=C1CCCC(=O)O1.OO.
What is the InChIKey of hydrogen peroxide;oxane-2,6-dione?
The InChIKey is WISZGCRYBPQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.H2O2/c6-4-2-1-3-5(7)8-4;1-2/h1-3H2;1-2H.
What are the key properties of hydrogen peroxide;oxane-2,6-dione?
hydrogen peroxide;oxane-2,6-dione has a molecular weight of 148.11 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;oxane-2,6-dione is sourced from PubChem (CID 90659438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).