2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol

C26H46O5 — CID 118325882

About 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 118325882) has the molecular formula C26H46O5 and a molecular weight of 438.65 g/mol. Its IUPAC name is 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 118325882
• Molecular Formula: C26H46O5
• Molecular Weight: 438.65 g/mol
• Exact Mass: 438.33
• IUPAC Name: 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCC(C)c1ccc(COCCOCCOCCOCCO)cc1
• InChI: InChI=1S/C26H46O5/c1-3-4-5-6-7-8-9-10-24(2)26-13-11-25(12-14-26)23-31-22-21-30-20-19-29-18-17-28-16-15-27/h11-14,24,27H,3-10,15-23H2,1-2H3
• InChIKey: QLFSXUAEMLUYAE-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 22
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.65
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 118325882) is 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCC(C)c1ccc(COCCOCCOCCOCCO)cc1.

What is the InChIKey of 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is QLFSXUAEMLUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O5/c1-3-4-5-6-7-8-9-10-24(2)26-13-11-25(12-14-26)23-31-22-21-30-20-19-29-18-17-28-16-15-27/h11-14,24,27H,3-10,15-23H2,1-2H3.

What are the key properties of 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 438.65 g/mol, XLogP of 5.49, 22 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 118325882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).