hydrogen peroxide

H16O16 — CID 159255937

IUPAChydrogen peroxide
SMILESOO.OO.OO.OO.OO.OO.OO.OO
InChIInChI=1S/8H2O2/c8*1-2/h8*1-2H
InChIKeyKVWXXHSTWASOMD-UHFFFAOYSA-N
MW272.11 g/mol
LogP0.14
Rot. Bonds

About hydrogen peroxide

hydrogen peroxide (PubChem CID 159255937) has the molecular formula H16O16 and a molecular weight of 272.11 g/mol. Its IUPAC name is hydrogen peroxide.

Molecular Properties

Compound Namehydrogen peroxide
PubChem CID159255937
Molecular FormulaH16O16
Molecular Weight272.11 g/mol
Exact Mass272.04
IUPAC Namehydrogen peroxide
SMILESOO.OO.OO.OO.OO.OO.OO.OO
InChIInChI=1S/8H2O2/c8*1-2/h8*1-2H
InChIKeyKVWXXHSTWASOMD-UHFFFAOYSA-N
XLogP0.14
TPSA323.68 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500272.11
LogP ≤ 50.14
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze hydrogen peroxide 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

hydrogen peroxide
CID 21255768
hydrogen peroxide;hydron
CID 159605851
hafnium;hydrogen peroxide
CID 173104900
germane;hydrogen peroxide
CID 173096963
hydrogen peroxide;nickel
CID 57432794
hydrogen peroxide;oxygen(2-)
CID 23212476
hydrogen peroxide;ruthenium
CID 173123263
cerium(4+);hydrogen peroxide
CID 159188229
hydrogen peroxide;titanium
CID 20764762
hydrogen peroxide;bis(iridium)
CID 173028511
hydrogen peroxide;vanadium(2+)
CID 19385206
Sodium borohydride-hydrogen peroxide
CID 154926658

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide?
The IUPAC name of hydrogen peroxide (CID 159255937) is hydrogen peroxide.
What is the SMILES notation for hydrogen peroxide?
The canonical SMILES for hydrogen peroxide is OO.OO.OO.OO.OO.OO.OO.OO.
What is the InChIKey of hydrogen peroxide?
The InChIKey is KVWXXHSTWASOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/8H2O2/c8*1-2/h8*1-2H.
What are the key properties of hydrogen peroxide?
hydrogen peroxide has a molecular weight of 272.11 g/mol, XLogP of 0.14, 0 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide is sourced from PubChem (CID 159255937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).