ethane;hydrogen peroxide;methoxymethane;hydrate

C4H16O4 — CID 158072108

IUPACethane;hydrogen peroxide;methoxymethane;hydrate
SMILESCC.COC.O.OO
InChIInChI=1S/C2H6O.C2H6.H2O2.H2O/c1-3-2;2*1-2;/h1-2H3;1-2H3;1-2H;1H2
InChIKeyULQRNXVCMGLMHQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.48
Rot. Bonds

About ethane;hydrogen peroxide;methoxymethane;hydrate

ethane;hydrogen peroxide;methoxymethane;hydrate (PubChem CID 158072108) has the molecular formula C4H16O4 and a molecular weight of 128.17 g/mol. Its IUPAC name is ethane;hydrogen peroxide;methoxymethane;hydrate.

Molecular Properties

Compound Nameethane;hydrogen peroxide;methoxymethane;hydrate
PubChem CID158072108
Molecular FormulaC4H16O4
Molecular Weight128.17 g/mol
Exact Mass128.10
IUPAC Nameethane;hydrogen peroxide;methoxymethane;hydrate
SMILESCC.COC.O.OO
InChIInChI=1S/C2H6O.C2H6.H2O2.H2O/c1-3-2;2*1-2;/h1-2H3;1-2H3;1-2H;1H2
InChIKeyULQRNXVCMGLMHQ-UHFFFAOYSA-N
XLogP0.48
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Ethane;methoxymethane;methylperoxymethane
CID 54203263
Methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane
CID 91273816

Frequently Asked Questions

What is the IUPAC name of ethane;hydrogen peroxide;methoxymethane;hydrate?
The IUPAC name of ethane;hydrogen peroxide;methoxymethane;hydrate (CID 158072108) is ethane;hydrogen peroxide;methoxymethane;hydrate.
What is the SMILES notation for ethane;hydrogen peroxide;methoxymethane;hydrate?
The canonical SMILES for ethane;hydrogen peroxide;methoxymethane;hydrate is CC.COC.O.OO.
What is the InChIKey of ethane;hydrogen peroxide;methoxymethane;hydrate?
The InChIKey is ULQRNXVCMGLMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.C2H6.H2O2.H2O/c1-3-2;2*1-2;/h1-2H3;1-2H3;1-2H;1H2.
What are the key properties of ethane;hydrogen peroxide;methoxymethane;hydrate?
ethane;hydrogen peroxide;methoxymethane;hydrate has a molecular weight of 128.17 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydrogen peroxide;methoxymethane;hydrate is sourced from PubChem (CID 158072108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).