methylperoxyethane

C3H8O2 — CID 14795133

IUPACmethylperoxyethane
SMILESCCOOC
InChIInChI=1S/C3H8O2/c1-3-5-4-2/h3H2,1-2H3
InChIKeyDYGOPFFOGFHOIB-UHFFFAOYSA-N
MW76.09 g/mol
LogP0.58
Rot. Bonds2

About methylperoxyethane

methylperoxyethane (PubChem CID 14795133) has the molecular formula C3H8O2 and a molecular weight of 76.09 g/mol. Its IUPAC name is methylperoxyethane.

Molecular Properties

Compound Namemethylperoxyethane
PubChem CID14795133
Molecular FormulaC3H8O2
Molecular Weight76.09 g/mol
Exact Mass76.05
IUPAC Namemethylperoxyethane
SMILESCCOOC
InChIInChI=1S/C3H8O2/c1-3-5-4-2/h3H2,1-2H3
InChIKeyDYGOPFFOGFHOIB-UHFFFAOYSA-N
XLogP0.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.09
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of methylperoxyethane?
The IUPAC name of methylperoxyethane (CID 14795133) is methylperoxyethane.
What is the SMILES notation for methylperoxyethane?
The canonical SMILES for methylperoxyethane is CCOOC.
What is the InChIKey of methylperoxyethane?
The InChIKey is DYGOPFFOGFHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2/c1-3-5-4-2/h3H2,1-2H3.
What are the key properties of methylperoxyethane?
methylperoxyethane has a molecular weight of 76.09 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyethane is sourced from PubChem (CID 14795133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).