4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene

C36H54O11 — CID 146492341

About 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene

4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene (PubChem CID 146492341) has the molecular formula C36H54O11 and a molecular weight of 662.82 g/mol. Its IUPAC name is 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene.

Molecular Properties

• Compound Name: 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
• PubChem CID: 146492341
• Molecular Formula: C36H54O11
• Molecular Weight: 662.82 g/mol
• Exact Mass: 662.37
• IUPAC Name: 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
• SMILES: C=Cc1ccc(OCCOCCOCCOCC(OC)c2cc(C=C)ccc2OCCOCCOCCOCCOCCOC)cc1
• InChI: InChI=1S/C36H54O11/c1-5-31-7-10-33(11-8-31)46-27-25-43-21-20-42-23-24-45-30-36(38-4)34-29-32(6-2)9-12-35(34)47-28-26-44-22-19-41-18-17-40-16-15-39-14-13-37-3/h5-12,29,36H,1-2,13-28,30H2,3-4H3
• InChIKey: DNBPLZBBBCEDMQ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 32
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.82
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?

The IUPAC name of 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene (CID 146492341) is 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene.

What is the SMILES notation for 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?

The canonical SMILES for 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene is C=Cc1ccc(OCCOCCOCCOCC(OC)c2cc(C=C)ccc2OCCOCCOCCOCCOCCOC)cc1.

What is the InChIKey of 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?

The InChIKey is DNBPLZBBBCEDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54O11/c1-5-31-7-10-33(11-8-31)46-27-25-43-21-20-42-23-24-45-30-36(38-4)34-29-32(6-2)9-12-35(34)47-28-26-44-22-19-41-18-17-40-16-15-39-14-13-37-3/h5-12,29,36H,1-2,13-28,30H2,3-4H3.

What are the key properties of 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?

4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene has a molecular weight of 662.82 g/mol, XLogP of 4.88, 32 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethenyl-2-[2-[2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]ethoxy]-1-methoxyethyl]-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 146492341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).