methoxy methylperoxycarbonyloxy carbonate

C4H6O8 — CID 150811952

IUPACmethoxy methylperoxycarbonyloxy carbonate
SMILESCOOC(=O)OOC(=O)OOC
InChIInChI=1S/C4H6O8/c1-7-9-3(5)11-12-4(6)10-8-2/h1-2H3
InChIKeyKIBULIBCAGPBMR-UHFFFAOYSA-N
MW182.08 g/mol
LogP0.33
Rot. Bonds2

About methoxy methylperoxycarbonyloxy carbonate

methoxy methylperoxycarbonyloxy carbonate (PubChem CID 150811952) has the molecular formula C4H6O8 and a molecular weight of 182.08 g/mol. Its IUPAC name is methoxy methylperoxycarbonyloxy carbonate.

Molecular Properties

Compound Namemethoxy methylperoxycarbonyloxy carbonate
PubChem CID150811952
Molecular FormulaC4H6O8
Molecular Weight182.08 g/mol
Exact Mass182.01
IUPAC Namemethoxy methylperoxycarbonyloxy carbonate
SMILESCOOC(=O)OOC(=O)OOC
InChIInChI=1S/C4H6O8/c1-7-9-3(5)11-12-4(6)10-8-2/h1-2H3
InChIKeyKIBULIBCAGPBMR-UHFFFAOYSA-N
XLogP0.33
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.08
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Methoxycarbonate
CID 19352789
Magnesium methoxy carbonate
CID 88463617
Bis(methylperoxy) carbonate
CID 139794720
Magnesium methoxy carbonate
CID 141788236
Methoxycarbonyloxyperoxy methyl carbonate
CID 153850457
Trimagnesium;methanolate;dicarbonate
CID 173321815

Frequently Asked Questions

What is the IUPAC name of methoxy methylperoxycarbonyloxy carbonate?
The IUPAC name of methoxy methylperoxycarbonyloxy carbonate (CID 150811952) is methoxy methylperoxycarbonyloxy carbonate.
What is the SMILES notation for methoxy methylperoxycarbonyloxy carbonate?
The canonical SMILES for methoxy methylperoxycarbonyloxy carbonate is COOC(=O)OOC(=O)OOC.
What is the InChIKey of methoxy methylperoxycarbonyloxy carbonate?
The InChIKey is KIBULIBCAGPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O8/c1-7-9-3(5)11-12-4(6)10-8-2/h1-2H3.
What are the key properties of methoxy methylperoxycarbonyloxy carbonate?
methoxy methylperoxycarbonyloxy carbonate has a molecular weight of 182.08 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy methylperoxycarbonyloxy carbonate is sourced from PubChem (CID 150811952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).