2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol

C26H54O7 — CID 100959671

About 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 100959671) has the molecular formula C26H54O7 and a molecular weight of 478.71 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 100959671
• Molecular Formula: C26H54O7
• Molecular Weight: 478.71 g/mol
• Exact Mass: 478.39
• IUPAC Name: 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCCOCOCCCOCCOCCOCCOCCO
• InChI: InChI=1S/C26H54O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-32-26-33-18-14-17-28-20-22-30-24-25-31-23-21-29-19-15-27/h27H,2-26H2,1H3
• InChIKey: DSSDBMNDQKAKCF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 30
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.71
LogP ≤ 5	5.13
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 100959671) is 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCCOCOCCCOCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is DSSDBMNDQKAKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-32-26-33-18-14-17-28-20-22-30-24-25-31-23-21-29-19-15-27/h27H,2-26H2,1H3.

What are the key properties of 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 478.71 g/mol, XLogP of 5.13, 30 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 100959671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).