2-(2-hydroxyethylperoxy)ethanol;methoxymethane

C6H16O5 — CID 174905336

IUPAC2-(2-hydroxyethylperoxy)ethanol;methoxymethane
SMILESCOC.OCCOOCCO
InChIInChI=1S/C4H10O4.C2H6O/c5-1-3-7-8-4-2-6;1-3-2/h5-6H,1-4H2;1-2H3
InChIKeyOMSINFNGCMZYJF-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.82
Rot. Bonds5

About 2-(2-hydroxyethylperoxy)ethanol;methoxymethane

2-(2-hydroxyethylperoxy)ethanol;methoxymethane (PubChem CID 174905336) has the molecular formula C6H16O5 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(2-hydroxyethylperoxy)ethanol;methoxymethane.

Molecular Properties

Compound Name2-(2-hydroxyethylperoxy)ethanol;methoxymethane
PubChem CID174905336
Molecular FormulaC6H16O5
Molecular Weight168.19 g/mol
Exact Mass168.10
IUPAC Name2-(2-hydroxyethylperoxy)ethanol;methoxymethane
SMILESCOC.OCCOOCCO
InChIInChI=1S/C4H10O4.C2H6O/c5-1-3-7-8-4-2-6;1-3-2/h5-6H,1-4H2;1-2H3
InChIKeyOMSINFNGCMZYJF-UHFFFAOYSA-N
XLogP-0.82
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-(2-hydroxyethylperoxy)ethanol
CID 174491378
butan-1-ol;2-(2-hydroxyethylperoxy)ethanol
CID 174670759
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
CID 166692262
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl hypochlorite
CID 174668360
sodium 2-methoxyethanol
CID 21124383
bismuthane;2-methoxyethanol
CID 174782924
2-(trioxidanyl)ethanol
CID 123836942
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-methoxyethanol;sulfane
CID 174965249
ethane;2-methoxyethanol
CID 175109361

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylperoxy)ethanol;methoxymethane?
The IUPAC name of 2-(2-hydroxyethylperoxy)ethanol;methoxymethane (CID 174905336) is 2-(2-hydroxyethylperoxy)ethanol;methoxymethane.
What is the SMILES notation for 2-(2-hydroxyethylperoxy)ethanol;methoxymethane?
The canonical SMILES for 2-(2-hydroxyethylperoxy)ethanol;methoxymethane is COC.OCCOOCCO.
What is the InChIKey of 2-(2-hydroxyethylperoxy)ethanol;methoxymethane?
The InChIKey is OMSINFNGCMZYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4.C2H6O/c5-1-3-7-8-4-2-6;1-3-2/h5-6H,1-4H2;1-2H3.
What are the key properties of 2-(2-hydroxyethylperoxy)ethanol;methoxymethane?
2-(2-hydroxyethylperoxy)ethanol;methoxymethane has a molecular weight of 168.19 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylperoxy)ethanol;methoxymethane is sourced from PubChem (CID 174905336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).