methanol;methoxyperoxymethane

C3H10O4 — CID 86585953

IUPACmethanol;methoxyperoxymethane
SMILESCO.COOOC
InChIInChI=1S/C2H6O3.CH4O/c1-3-5-4-2;1-2/h1-2H3;2H,1H3
InChIKeyNABNHWBVYLGOSI-UHFFFAOYSA-N
MW110.11 g/mol
LogP-0.27
Rot. Bonds2

About methanol;methoxyperoxymethane

methanol;methoxyperoxymethane (PubChem CID 86585953) has the molecular formula C3H10O4 and a molecular weight of 110.11 g/mol. Its IUPAC name is methanol;methoxyperoxymethane.

Molecular Properties

Compound Namemethanol;methoxyperoxymethane
PubChem CID86585953
Molecular FormulaC3H10O4
Molecular Weight110.11 g/mol
Exact Mass110.06
IUPAC Namemethanol;methoxyperoxymethane
SMILESCO.COOOC
InChIInChI=1S/C2H6O3.CH4O/c1-3-5-4-2;1-2/h1-2H3;2H,1H3
InChIKeyNABNHWBVYLGOSI-UHFFFAOYSA-N
XLogP-0.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methanol;methoxyperoxymethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanol;methoxyperoxymethane?
The IUPAC name of methanol;methoxyperoxymethane (CID 86585953) is methanol;methoxyperoxymethane.
What is the SMILES notation for methanol;methoxyperoxymethane?
The canonical SMILES for methanol;methoxyperoxymethane is CO.COOOC.
What is the InChIKey of methanol;methoxyperoxymethane?
The InChIKey is NABNHWBVYLGOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3.CH4O/c1-3-5-4-2;1-2/h1-2H3;2H,1H3.
What are the key properties of methanol;methoxyperoxymethane?
methanol;methoxyperoxymethane has a molecular weight of 110.11 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methoxyperoxymethane is sourced from PubChem (CID 86585953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).