bis(methylperoxy) carbonate

C3H6O7 — CID 139794720

IUPACbis(methylperoxy) carbonate
SMILESCOOOC(=O)OOOC
InChIInChI=1S/C3H6O7/c1-5-9-7-3(4)8-10-6-2/h1-2H3
InChIKeyVWSURGWOUTWJIB-UHFFFAOYSA-N
MW154.07 g/mol
LogP0.13
Rot. Bonds4

About bis(methylperoxy) carbonate

bis(methylperoxy) carbonate (PubChem CID 139794720) has the molecular formula C3H6O7 and a molecular weight of 154.07 g/mol. Its IUPAC name is bis(methylperoxy) carbonate.

Molecular Properties

Compound Namebis(methylperoxy) carbonate
PubChem CID139794720
Molecular FormulaC3H6O7
Molecular Weight154.07 g/mol
Exact Mass154.01
IUPAC Namebis(methylperoxy) carbonate
SMILESCOOOC(=O)OOOC
InChIInChI=1S/C3H6O7/c1-5-9-7-3(4)8-10-6-2/h1-2H3
InChIKeyVWSURGWOUTWJIB-UHFFFAOYSA-N
XLogP0.13
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 bis(methylperoxy) carbonate?
The IUPAC name of bis(methylperoxy) carbonate (CID 139794720) is bis(methylperoxy) carbonate.
What is the SMILES notation for bis(methylperoxy) carbonate?
The canonical SMILES for bis(methylperoxy) carbonate is COOOC(=O)OOOC.
What is the InChIKey of bis(methylperoxy) carbonate?
The InChIKey is VWSURGWOUTWJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O7/c1-5-9-7-3(4)8-10-6-2/h1-2H3.
What are the key properties of bis(methylperoxy) carbonate?
bis(methylperoxy) carbonate has a molecular weight of 154.07 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylperoxy) carbonate is sourced from PubChem (CID 139794720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).