CID 59050357

C2H4O2 — CID 59050357

IUPAC—
SMILES[CH]OOC
InChIInChI=1S/C2H4O2/c1-3-4-2/h1H,2H3
InChIKeyDGWPEEBCESDYNT-UHFFFAOYSA-N
MW60.05 g/mol
LogP0.23
Rot. Bonds1

About CID 59050357

CID 59050357 (PubChem CID 59050357) has the molecular formula C2H4O2 and a molecular weight of 60.05 g/mol.

Molecular Properties

Compound NameCID 59050357
PubChem CID59050357
Molecular FormulaC2H4O2
Molecular Weight60.05 g/mol
Exact Mass60.02
IUPAC Name—
SMILES[CH]OOC
InChIInChI=1S/C2H4O2/c1-3-4-2/h1H,2H3
InChIKeyDGWPEEBCESDYNT-UHFFFAOYSA-N
XLogP0.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.05
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl peroxide
CID 136492
Trioxide, dimethyl
CID 17819761
Methoxyperoxide
CID 22227462
Methoxyperoxyperoxymethane
CID 18439197
Hydron;methylperoxymethane
CID 19010261
Methoxyperoxyperoxyperoxymethane
CID 22496729
Methoxysulfanylperoxymethane
CID 22955890
Methanidylperoxymethane;rutherfordium
CID 58444275
CID 58750503
CID 58750503
methylperoxy(111C)methane
CID 60039850
Methoxyperoxymethane;ZINC
CID 87455434
Methoxyperoxymethane;rhenium
CID 88013893

Frequently Asked Questions

What is the IUPAC name of CID 59050357?
The IUPAC name of CID 59050357 (CID 59050357) is not available.
What is the SMILES notation for CID 59050357?
The canonical SMILES for CID 59050357 is [CH]OOC.
What is the InChIKey of CID 59050357?
The InChIKey is DGWPEEBCESDYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2/c1-3-4-2/h1H,2H3.
What are the key properties of CID 59050357?
CID 59050357 has a molecular weight of 60.05 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59050357 is sourced from PubChem (CID 59050357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).