2-methoxyethoxymethyl ethaneperoxoate

C6H12O5 — CID 22938292

IUPAC2-methoxyethoxymethyl ethaneperoxoate
SMILESCOCCOCOOC(C)=O
InChIInChI=1S/C6H12O5/c1-6(7)11-10-5-9-4-3-8-2/h3-5H2,1-2H3
InChIKeyBPOSORQRGGVLMH-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.10
Rot. Bonds6

About 2-methoxyethoxymethyl ethaneperoxoate

2-methoxyethoxymethyl ethaneperoxoate (PubChem CID 22938292) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-methoxyethoxymethyl ethaneperoxoate.

Molecular Properties

Compound Name2-methoxyethoxymethyl ethaneperoxoate
PubChem CID22938292
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name2-methoxyethoxymethyl ethaneperoxoate
SMILESCOCCOCOOC(C)=O
InChIInChI=1S/C6H12O5/c1-6(7)11-10-5-9-4-3-8-2/h3-5H2,1-2H3
InChIKeyBPOSORQRGGVLMH-UHFFFAOYSA-N
XLogP0.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
propyl ethaneperoxoate
CID 160583975
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxymethyl ethaneperoxoate?
The IUPAC name of 2-methoxyethoxymethyl ethaneperoxoate (CID 22938292) is 2-methoxyethoxymethyl ethaneperoxoate.
What is the SMILES notation for 2-methoxyethoxymethyl ethaneperoxoate?
The canonical SMILES for 2-methoxyethoxymethyl ethaneperoxoate is COCCOCOOC(C)=O.
What is the InChIKey of 2-methoxyethoxymethyl ethaneperoxoate?
The InChIKey is BPOSORQRGGVLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c1-6(7)11-10-5-9-4-3-8-2/h3-5H2,1-2H3.
What are the key properties of 2-methoxyethoxymethyl ethaneperoxoate?
2-methoxyethoxymethyl ethaneperoxoate has a molecular weight of 164.16 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxymethyl ethaneperoxoate is sourced from PubChem (CID 22938292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).