hydroperoxymethanol;hydrate

CH6O4 — CID 141339396

IUPAChydroperoxymethanol;hydrate
SMILESO.OCOO
InChIInChI=1S/CH4O3.H2O/c2-1-4-3;/h2-3H,1H2;1H2
InChIKeyOEIKXZNANTZVKU-UHFFFAOYSA-N
MW82.06 g/mol
LogP-1.40
Rot. Bonds1

About hydroperoxymethanol;hydrate

hydroperoxymethanol;hydrate (PubChem CID 141339396) has the molecular formula CH6O4 and a molecular weight of 82.06 g/mol. Its IUPAC name is hydroperoxymethanol;hydrate.

Molecular Properties

Compound Namehydroperoxymethanol;hydrate
PubChem CID141339396
Molecular FormulaCH6O4
Molecular Weight82.06 g/mol
Exact Mass82.03
IUPAC Namehydroperoxymethanol;hydrate
SMILESO.OCOO
InChIInChI=1S/CH4O3.H2O/c2-1-4-3;/h2-3H,1H2;1H2
InChIKeyOEIKXZNANTZVKU-UHFFFAOYSA-N
XLogP-1.40
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.06
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

hydroxymethylperoxymethanol;hydrate
CID 139899166
hydroxymethylperoxymethanol
CID 28258
azane;hydroxymethoxymethanol
CID 174600745
hydroxymethoxymethanol;methane
CID 157392016
CID 23391253
CID 23391253
bis(hydroxymethyl) sulfate
CID 142405843
hydroperoxyperoxymethanol
CID 141157845
calcium;hydride;2-hydroperoxyethanol
CID 174969013
CID 24916756
CID 24916756
dimagnesium;hydride;hydrogen peroxide;hydroperoxyethane;zinc;hydrate
CID 175177657
hydroperoxyethane;propan-1-ol;titanium
CID 22572482
1-amino-2-hydroperoxyethanol
CID 173374285

Frequently Asked Questions

What is the IUPAC name of hydroperoxymethanol;hydrate?
The IUPAC name of hydroperoxymethanol;hydrate (CID 141339396) is hydroperoxymethanol;hydrate.
What is the SMILES notation for hydroperoxymethanol;hydrate?
The canonical SMILES for hydroperoxymethanol;hydrate is O.OCOO.
What is the InChIKey of hydroperoxymethanol;hydrate?
The InChIKey is OEIKXZNANTZVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3.H2O/c2-1-4-3;/h2-3H,1H2;1H2.
What are the key properties of hydroperoxymethanol;hydrate?
hydroperoxymethanol;hydrate has a molecular weight of 82.06 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethanol;hydrate is sourced from PubChem (CID 141339396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).