hydroperoxyperoxymethanol

CH4O5 — CID 141157845

IUPAChydroperoxyperoxymethanol
SMILESOCOOOO
InChIInChI=1S/CH4O5/c2-1-4-6-5-3/h2-3H,1H2
InChIKeyVZCZOALSOYAZKH-UHFFFAOYSA-N
MW96.04 g/mol
LogP-0.71
Rot. Bonds3

About hydroperoxyperoxymethanol

hydroperoxyperoxymethanol (PubChem CID 141157845) has the molecular formula CH4O5 and a molecular weight of 96.04 g/mol. Its IUPAC name is hydroperoxyperoxymethanol.

Molecular Properties

Compound Namehydroperoxyperoxymethanol
PubChem CID141157845
Molecular FormulaCH4O5
Molecular Weight96.04 g/mol
Exact Mass96.01
IUPAC Namehydroperoxyperoxymethanol
SMILESOCOOOO
InChIInChI=1S/CH4O5/c2-1-4-6-5-3/h2-3H,1H2
InChIKeyVZCZOALSOYAZKH-UHFFFAOYSA-N
XLogP-0.71
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.04
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydroperoxyperoxyperoxymethanol
CID 89139008
hydroxymethylperoxymethanol
CID 28258
sulfanyloxyperoxymethanol
CID 87921932
hydroxymethylperoxymethanol;hydrate
CID 139899166
CID 59279399
CID 59279399
9-hydroperoxyperoxynonane-1-thiol
CID 87496705
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyethane
CID 89194899
hydroperoxymethanol;hydrate
CID 141339396
CID 160619880
CID 160619880
2-(trioxidanyl)ethanol
CID 123836942
1-hydroperoxyperoxy-2-methylhexane
CID 88552225
1-hydroperoxyperoxy-22-pentoxydocosane
CID 118460849

Frequently Asked Questions

What is the IUPAC name of hydroperoxyperoxymethanol?
The IUPAC name of hydroperoxyperoxymethanol (CID 141157845) is hydroperoxyperoxymethanol.
What is the SMILES notation for hydroperoxyperoxymethanol?
The canonical SMILES for hydroperoxyperoxymethanol is OCOOOO.
What is the InChIKey of hydroperoxyperoxymethanol?
The InChIKey is VZCZOALSOYAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O5/c2-1-4-6-5-3/h2-3H,1H2.
What are the key properties of hydroperoxyperoxymethanol?
hydroperoxyperoxymethanol has a molecular weight of 96.04 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyperoxymethanol is sourced from PubChem (CID 141157845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).