bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate

C56H92N2O22 — CID 163745695

About bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate

bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate (PubChem CID 163745695) has the molecular formula C56H92N2O22 and a molecular weight of 1145.34 g/mol. Its IUPAC name is bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate
• PubChem CID: 163745695
• Molecular Formula: C56H92N2O22
• Molecular Weight: 1145.34 g/mol
• Exact Mass: 1144.61
• IUPAC Name: bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate
• SMILES: COCCOCCOC/C=C/C=C/COCCOCCOCC(=O)OC.COCCOCCOC/C=C/COCCOCCOCC(=O)OC.COCCOCCOc1ccc(/N=N/c2ccc(OCCOCCOC)cc2)cc1
• InChI: InChI=1S/C22H30N2O6.C18H32O8.C16H30O8/c1-25-11-13-27-15-17-29-21-7-3-19(4-8-21)23-24-20-5-9-22(10-6-20)30-18-16-28-14-12-26-2;1-20-9-10-24-13-11-22-7-5-3-4-6-8-23-12-14-25-15-16-26-17-18(19)21-2;1-18-7-8-22-11-9-20-5-3-4-6-21-10-12-23-13-14-24-15-16(17)19-2/h3-10H,11-18H2,1-2H3;3-6H,7-17H2,1-2H3;3-4H,5-15H2,1-2H3/b24-23+;5-3+,6-4+;4-3+
• InChIKey: LLQWLGYMBPFQKH-OHNOJSRQSA-N
• XLogP: 5.63
• TPSA: 243.46 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 53
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.34
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate?

The IUPAC name of bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate (CID 163745695) is bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate is COCCOCCOC/C=C/C=C/COCCOCCOCC(=O)OC.COCCOCCOC/C=C/COCCOCCOCC(=O)OC.COCCOCCOc1ccc(/N=N/c2ccc(OCCOCCOC)cc2)cc1.

What is the InChIKey of bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate?

The InChIKey is LLQWLGYMBPFQKH-OHNOJSRQSA-N. The full InChI is InChI=1S/C22H30N2O6.C18H32O8.C16H30O8/c1-25-11-13-27-15-17-29-21-7-3-19(4-8-21)23-24-20-5-9-22(10-6-20)30-18-16-28-14-12-26-2;1-20-9-10-24-13-11-22-7-5-3-4-6-8-23-12-14-25-15-16-26-17-18(19)21-2;1-18-7-8-22-11-9-20-5-3-4-6-21-10-12-23-13-14-24-15-16(17)19-2/h3-10H,11-18H2,1-2H3;3-6H,7-17H2,1-2H3;3-4H,5-15H2,1-2H3/b24-23+;5-3+,6-4+;4-3+.

What are the key properties of bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate?

bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate has a molecular weight of 1145.34 g/mol, XLogP of 5.63, 53 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]diazene;methyl 2-[2-[2-[(E)-4-[2-(2-methoxyethoxy)ethoxy]but-2-enoxy]ethoxy]ethoxy]acetate;methyl 2-[2-[2-[(2E,4E)-6-[2-(2-methoxyethoxy)ethoxy]hexa-2,4-dienoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 163745695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).