methoxyperoxyethane

C3H8O3 — CID 88731401

IUPACmethoxyperoxyethane
SMILESCCOOOC
InChIInChI=1S/C3H8O3/c1-3-5-6-4-2/h3H2,1-2H3
InChIKeyYACCECLVHQLZQK-UHFFFAOYSA-N
MW92.09 g/mol
LogP0.52
Rot. Bonds3

About methoxyperoxyethane

methoxyperoxyethane (PubChem CID 88731401) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is methoxyperoxyethane.

Molecular Properties

Compound Namemethoxyperoxyethane
PubChem CID88731401
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Namemethoxyperoxyethane
SMILESCCOOOC
InChIInChI=1S/C3H8O3/c1-3-5-6-4-2/h3H2,1-2H3
InChIKeyYACCECLVHQLZQK-UHFFFAOYSA-N
XLogP0.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methoxyperoxyethane?
The IUPAC name of methoxyperoxyethane (CID 88731401) is methoxyperoxyethane.
What is the SMILES notation for methoxyperoxyethane?
The canonical SMILES for methoxyperoxyethane is CCOOOC.
What is the InChIKey of methoxyperoxyethane?
The InChIKey is YACCECLVHQLZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3/c1-3-5-6-4-2/h3H2,1-2H3.
What are the key properties of methoxyperoxyethane?
methoxyperoxyethane has a molecular weight of 92.09 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyperoxyethane is sourced from PubChem (CID 88731401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).