2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C30H61NO6 — CID 139597376

About 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 139597376) has the molecular formula C30H61NO6 and a molecular weight of 531.82 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
• PubChem CID: 139597376
• Molecular Formula: C30H61NO6
• Molecular Weight: 531.82 g/mol
• Exact Mass: 531.45
• IUPAC Name: 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
• SMILES: CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCN
• InChI: InChI=1S/C30H61NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h12-13H,2-11,14-31H2,1H3/b13-12+
• InChIKey: UTZNITGXCPSGJW-OUKQBFOZSA-N
• XLogP: 6.08
• TPSA: 81.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 33
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.82
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

The IUPAC name of 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 139597376) is 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCN.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

The InChIKey is UTZNITGXCPSGJW-OUKQBFOZSA-N. The full InChI is InChI=1S/C30H61NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h12-13H,2-11,14-31H2,1H3/b13-12+.

What are the key properties of 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 531.82 g/mol, XLogP of 6.08, 33 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 139597376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).