methyl methylperoxy carbonate

C3H6O5 — CID 126607897

IUPACmethyl methylperoxy carbonate
SMILESCOOOC(=O)OC
InChIInChI=1S/C3H6O5/c1-5-3(4)7-8-6-2/h1-2H3
InChIKeyFQHOYPVMQCBUSF-UHFFFAOYSA-N
MW122.08 g/mol
LogP0.26
Rot. Bonds2

About methyl methylperoxy carbonate

methyl methylperoxy carbonate (PubChem CID 126607897) has the molecular formula C3H6O5 and a molecular weight of 122.08 g/mol. Its IUPAC name is methyl methylperoxy carbonate.

Molecular Properties

Compound Namemethyl methylperoxy carbonate
PubChem CID126607897
Molecular FormulaC3H6O5
Molecular Weight122.08 g/mol
Exact Mass122.02
IUPAC Namemethyl methylperoxy carbonate
SMILESCOOOC(=O)OC
InChIInChI=1S/C3H6O5/c1-5-3(4)7-8-6-2/h1-2H3
InChIKeyFQHOYPVMQCBUSF-UHFFFAOYSA-N
XLogP0.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl methylperoxy carbonate?
The IUPAC name of methyl methylperoxy carbonate (CID 126607897) is methyl methylperoxy carbonate.
What is the SMILES notation for methyl methylperoxy carbonate?
The canonical SMILES for methyl methylperoxy carbonate is COOOC(=O)OC.
What is the InChIKey of methyl methylperoxy carbonate?
The InChIKey is FQHOYPVMQCBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5/c1-5-3(4)7-8-6-2/h1-2H3.
What are the key properties of methyl methylperoxy carbonate?
methyl methylperoxy carbonate has a molecular weight of 122.08 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl methylperoxy carbonate is sourced from PubChem (CID 126607897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).