bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate

C15H26O10 — CID 54345755

About bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate

bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate (PubChem CID 54345755) has the molecular formula C15H26O10 and a molecular weight of 366.36 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate.

Molecular Properties

• Compound Name: bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate
• PubChem CID: 54345755
• Molecular Formula: C15H26O10
• Molecular Weight: 366.36 g/mol
• Exact Mass: 366.15
• IUPAC Name: bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate
• SMILES: C=C(CC(=O)OOCCOCCOC)C(=O)OOCCOCCOC
• InChI: InChI=1S/C15H26O10/c1-13(15(17)25-23-11-9-21-7-5-19-3)12-14(16)24-22-10-8-20-6-4-18-2/h1,4-12H2,2-3H3
• InChIKey: UCEXUOUVZXUKSU-UHFFFAOYSA-N
• XLogP: 0.21
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.36
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate?

The IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate (CID 54345755) is bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate.

What is the SMILES notation for bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate?

The canonical SMILES for bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate is C=C(CC(=O)OOCCOCCOC)C(=O)OOCCOCCOC.

What is the InChIKey of bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate?

The InChIKey is UCEXUOUVZXUKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O10/c1-13(15(17)25-23-11-9-21-7-5-19-3)12-14(16)24-22-10-8-20-6-4-18-2/h1,4-12H2,2-3H3.

What are the key properties of bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate?

bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate has a molecular weight of 366.36 g/mol, XLogP of 0.21, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate is sourced from PubChem (CID 54345755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).