hydroxymethylperoxymethanol

C2H6O4 — CID 28258

IUPAChydroxymethylperoxymethanol
SMILESOCOOCO
InChIInChI=1S/C2H6O4/c3-1-5-6-2-4/h3-4H,1-2H2
InChIKeyJLJXMZMKMRQOLN-UHFFFAOYSA-N
MW94.07 g/mol
LogP-1.17
Rot. Bonds3

About hydroxymethylperoxymethanol

hydroxymethylperoxymethanol (PubChem CID 28258) has the molecular formula C2H6O4 and a molecular weight of 94.07 g/mol. Its IUPAC name is hydroxymethylperoxymethanol.

Molecular Properties

Compound Namehydroxymethylperoxymethanol
PubChem CID28258
Molecular FormulaC2H6O4
Molecular Weight94.07 g/mol
Exact Mass94.03
IUPAC Namehydroxymethylperoxymethanol
SMILESOCOOCO
InChIInChI=1S/C2H6O4/c3-1-5-6-2-4/h3-4H,1-2H2
InChIKeyJLJXMZMKMRQOLN-UHFFFAOYSA-N
XLogP-1.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.07
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

hydroxymethylperoxymethanol;hydrate
CID 139899166
hydroperoxyperoxymethanol
CID 141157845
sulfanyloxyperoxymethanol
CID 87921932
methylsulfanylperoxymethanol
CID 21040340
hydroperoxyperoxyperoxymethanol
CID 89139008
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
hydroperoxymethanol;hydrate
CID 141339396
azane;hydroxymethoxymethanol
CID 174600745
hydroxymethoxymethanol;methane
CID 157392016
CID 59949730
CID 59949730
2-methoxyethoxymethanol
CID 18720532
ethanol;ruthenium
CID 150841781

Frequently Asked Questions

What is the IUPAC name of hydroxymethylperoxymethanol?
The IUPAC name of hydroxymethylperoxymethanol (CID 28258) is hydroxymethylperoxymethanol.
What is the SMILES notation for hydroxymethylperoxymethanol?
The canonical SMILES for hydroxymethylperoxymethanol is OCOOCO.
What is the InChIKey of hydroxymethylperoxymethanol?
The InChIKey is JLJXMZMKMRQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4/c3-1-5-6-2-4/h3-4H,1-2H2.
What are the key properties of hydroxymethylperoxymethanol?
hydroxymethylperoxymethanol has a molecular weight of 94.07 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethylperoxymethanol is sourced from PubChem (CID 28258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).