CID 58750503

C2H5O2 — CID 58750503

IUPAC—
SMILES[CH2]OOC
InChIInChI=1S/C2H5O2/c1-3-4-2/h1H2,2H3
InChIKeyBLZBBIRDLAQOLT-UHFFFAOYSA-N
MW61.06 g/mol
LogP0.36
Rot. Bonds1

About CID 58750503

CID 58750503 (PubChem CID 58750503) has the molecular formula C2H5O2 and a molecular weight of 61.06 g/mol.

Molecular Properties

Compound NameCID 58750503
PubChem CID58750503
Molecular FormulaC2H5O2
Molecular Weight61.06 g/mol
Exact Mass61.03
IUPAC Name—
SMILES[CH2]OOC
InChIInChI=1S/C2H5O2/c1-3-4-2/h1H2,2H3
InChIKeyBLZBBIRDLAQOLT-UHFFFAOYSA-N
XLogP0.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.06
LogP ≤ 50.36
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 59050357
CID 59050357
methylperoxy(111C)methane
CID 60039850
Methoxyperoxymethane;ZINC
CID 87455434
Methoxyperoxymethane;rhenium
CID 88013893

Frequently Asked Questions

What is the IUPAC name of CID 58750503?
The IUPAC name of CID 58750503 (CID 58750503) is not available.
What is the SMILES notation for CID 58750503?
The canonical SMILES for CID 58750503 is [CH2]OOC.
What is the InChIKey of CID 58750503?
The InChIKey is BLZBBIRDLAQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2/c1-3-4-2/h1H2,2H3.
What are the key properties of CID 58750503?
CID 58750503 has a molecular weight of 61.06 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58750503 is sourced from PubChem (CID 58750503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).