3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal

C23H45N3O9 — CID 170201169

About 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal

3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal (PubChem CID 170201169) has the molecular formula C23H45N3O9 and a molecular weight of 507.63 g/mol. Its IUPAC name is 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal
• PubChem CID: 170201169
• Molecular Formula: C23H45N3O9
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.32
• IUPAC Name: 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal
• SMILES: CCOCCOCCOCCOCCN(C=CCOCCOCCOCCOCCC=O)/N=N/C
• InChI: InChI=1S/C23H45N3O9/c1-3-28-12-13-32-20-21-35-19-16-31-11-7-26(25-24-2)6-4-9-29-14-17-33-22-23-34-18-15-30-10-5-8-27/h4,6,8H,3,5,7,9-23H2,1-2H3/b6-4?,25-24+
• InChIKey: YGSGERXYMQJZPB-CVZGTRRZSA-N
• XLogP: 1.54
• TPSA: 118.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal?

The IUPAC name of 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal (CID 170201169) is 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal.

What is the SMILES notation for 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal?

The canonical SMILES for 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal is CCOCCOCCOCCOCCN(C=CCOCCOCCOCCOCCC=O)/N=N/C.

What is the InChIKey of 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal?

The InChIKey is YGSGERXYMQJZPB-CVZGTRRZSA-N. The full InChI is InChI=1S/C23H45N3O9/c1-3-28-12-13-32-20-21-35-19-16-31-11-7-26(25-24-2)6-4-9-29-14-17-33-22-23-34-18-15-30-10-5-8-27/h4,6,8H,3,5,7,9-23H2,1-2H3/b6-4?,25-24+.

What are the key properties of 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal?

3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal has a molecular weight of 507.63 g/mol, XLogP of 1.54, 29 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl-(methyldiazenyl)amino]prop-2-enoxy]ethoxy]ethoxy]ethoxy]propanal is sourced from PubChem (CID 170201169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).