tert-butyl 2-methoxyethaneperoxoate

C7H14O4 — CID 22323612

IUPACtert-butyl 2-methoxyethaneperoxoate
SMILESCOCC(=O)OOC(C)(C)C
InChIInChI=1S/C7H14O4/c1-7(2,3)11-10-6(8)5-9-4/h5H2,1-4H3
InChIKeyOLWGWTFRMXQYLG-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.91
Rot. Bonds3

About tert-butyl 2-methoxyethaneperoxoate

tert-butyl 2-methoxyethaneperoxoate (PubChem CID 22323612) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is tert-butyl 2-methoxyethaneperoxoate.

Molecular Properties

Compound Nametert-butyl 2-methoxyethaneperoxoate
PubChem CID22323612
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Nametert-butyl 2-methoxyethaneperoxoate
SMILESCOCC(=O)OOC(C)(C)C
InChIInChI=1S/C7H14O4/c1-7(2,3)11-10-6(8)5-9-4/h5H2,1-4H3
InChIKeyOLWGWTFRMXQYLG-UHFFFAOYSA-N
XLogP0.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl 2-methoxyethaneperoxoate?
The IUPAC name of tert-butyl 2-methoxyethaneperoxoate (CID 22323612) is tert-butyl 2-methoxyethaneperoxoate.
What is the SMILES notation for tert-butyl 2-methoxyethaneperoxoate?
The canonical SMILES for tert-butyl 2-methoxyethaneperoxoate is COCC(=O)OOC(C)(C)C.
What is the InChIKey of tert-butyl 2-methoxyethaneperoxoate?
The InChIKey is OLWGWTFRMXQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(2,3)11-10-6(8)5-9-4/h5H2,1-4H3.
What are the key properties of tert-butyl 2-methoxyethaneperoxoate?
tert-butyl 2-methoxyethaneperoxoate has a molecular weight of 162.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxyethaneperoxoate is sourced from PubChem (CID 22323612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).