dimethyl carbonate;hydrogen peroxide

C3H8O5 — CID 158274334

IUPACdimethyl carbonate;hydrogen peroxide
SMILESCOC(=O)OC.OO
InChIInChI=1S/C3H6O3.H2O2/c1-5-3(4)6-2;1-2/h1-2H3;1-2H
InChIKeyGJKOBRUPXSZGRX-UHFFFAOYSA-N
MW124.09 g/mol
LogP0.42
Rot. Bonds

About dimethyl carbonate;hydrogen peroxide

dimethyl carbonate;hydrogen peroxide (PubChem CID 158274334) has the molecular formula C3H8O5 and a molecular weight of 124.09 g/mol. Its IUPAC name is dimethyl carbonate;hydrogen peroxide.

Molecular Properties

Compound Namedimethyl carbonate;hydrogen peroxide
PubChem CID158274334
Molecular FormulaC3H8O5
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Namedimethyl carbonate;hydrogen peroxide
SMILESCOC(=O)OC.OO
InChIInChI=1S/C3H6O3.H2O2/c1-5-3(4)6-2;1-2/h1-2H3;1-2H
InChIKeyGJKOBRUPXSZGRX-UHFFFAOYSA-N
XLogP0.42
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 50.42
H-Bond Donors ≤ 52
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 dimethyl carbonate;hydrogen peroxide?
The IUPAC name of dimethyl carbonate;hydrogen peroxide (CID 158274334) is dimethyl carbonate;hydrogen peroxide.
What is the SMILES notation for dimethyl carbonate;hydrogen peroxide?
The canonical SMILES for dimethyl carbonate;hydrogen peroxide is COC(=O)OC.OO.
What is the InChIKey of dimethyl carbonate;hydrogen peroxide?
The InChIKey is GJKOBRUPXSZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.H2O2/c1-5-3(4)6-2;1-2/h1-2H3;1-2H.
What are the key properties of dimethyl carbonate;hydrogen peroxide?
dimethyl carbonate;hydrogen peroxide has a molecular weight of 124.09 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;hydrogen peroxide is sourced from PubChem (CID 158274334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).