hydroperoxymethane;zinc

CH4O2Zn — CID 87455433

IUPAChydroperoxymethane;zinc
SMILESCOO.[Zn]
InChIInChI=1S/CH4O2.Zn/c1-3-2;/h2H,1H3;
InChIKeyIOZVTAQAHXQOAB-UHFFFAOYSA-N
MW113.43 g/mol
LogP0.10
Rot. Bonds

About hydroperoxymethane;zinc

hydroperoxymethane;zinc (PubChem CID 87455433) has the molecular formula CH4O2Zn and a molecular weight of 113.43 g/mol. Its IUPAC name is hydroperoxymethane;zinc.

Molecular Properties

Compound Namehydroperoxymethane;zinc
PubChem CID87455433
Molecular FormulaCH4O2Zn
Molecular Weight113.43 g/mol
Exact Mass111.95
IUPAC Namehydroperoxymethane;zinc
SMILESCOO.[Zn]
InChIInChI=1S/CH4O2.Zn/c1-3-2;/h2H,1H3;
InChIKeyIOZVTAQAHXQOAB-UHFFFAOYSA-N
XLogP0.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.43
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 hydroperoxymethane;zinc?
The IUPAC name of hydroperoxymethane;zinc (CID 87455433) is hydroperoxymethane;zinc.
What is the SMILES notation for hydroperoxymethane;zinc?
The canonical SMILES for hydroperoxymethane;zinc is COO.[Zn].
What is the InChIKey of hydroperoxymethane;zinc?
The InChIKey is IOZVTAQAHXQOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O2.Zn/c1-3-2;/h2H,1H3;.
What are the key properties of hydroperoxymethane;zinc?
hydroperoxymethane;zinc has a molecular weight of 113.43 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;zinc is sourced from PubChem (CID 87455433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).