ethane;methoxymethane;methylperoxymethane

C6H18O3 — CID 54203263

IUPACethane;methoxymethane;methylperoxymethane
SMILESCC.COC.COOC
InChIInChI=1S/C2H6O2.C2H6O.C2H6/c1-3-4-2;1-3-2;1-2/h1-2H3;1-2H3;1-2H3
InChIKeyPQSDPMPVTBDYHQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.48
Rot. Bonds1

About ethane;methoxymethane;methylperoxymethane

ethane;methoxymethane;methylperoxymethane (PubChem CID 54203263) has the molecular formula C6H18O3 and a molecular weight of 138.21 g/mol. Its IUPAC name is ethane;methoxymethane;methylperoxymethane.

Molecular Properties

Compound Nameethane;methoxymethane;methylperoxymethane
PubChem CID54203263
Molecular FormulaC6H18O3
Molecular Weight138.21 g/mol
Exact Mass138.13
IUPAC Nameethane;methoxymethane;methylperoxymethane
SMILESCC.COC.COOC
InChIInChI=1S/C2H6O2.C2H6O.C2H6/c1-3-4-2;1-3-2;1-2/h1-2H3;1-2H3;1-2H3
InChIKeyPQSDPMPVTBDYHQ-UHFFFAOYSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
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

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Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;methylperoxymethane?
The IUPAC name of ethane;methoxymethane;methylperoxymethane (CID 54203263) is ethane;methoxymethane;methylperoxymethane.
What is the SMILES notation for ethane;methoxymethane;methylperoxymethane?
The canonical SMILES for ethane;methoxymethane;methylperoxymethane is CC.COC.COOC.
What is the InChIKey of ethane;methoxymethane;methylperoxymethane?
The InChIKey is PQSDPMPVTBDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H6O.C2H6/c1-3-4-2;1-3-2;1-2/h1-2H3;1-2H3;1-2H3.
What are the key properties of ethane;methoxymethane;methylperoxymethane?
ethane;methoxymethane;methylperoxymethane has a molecular weight of 138.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;methylperoxymethane is sourced from PubChem (CID 54203263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).