2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C37H68O9 — CID 24748856

About 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 24748856) has the molecular formula C37H68O9 and a molecular weight of 656.94 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 24748856
• Molecular Formula: C37H68O9
• Molecular Weight: 656.94 g/mol
• Exact Mass: 656.49
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCCCCCCOc1ccc(COCCOCCOCCOCCOCCOCCOCCO)cc1
• InChI: InChI=1S/C37H68O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-46-37-18-16-36(17-19-37)35-45-34-33-44-32-31-43-30-29-42-28-27-41-26-25-40-24-23-39-22-20-38/h16-19,38H,2-15,20-35H2,1H3
• InChIKey: CDLCQEJKZKVQJA-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 38
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.94
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 24748856) is 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

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

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCCCCOc1ccc(COCCOCCOCCOCCOCCOCCOCCO)cc1.

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

The InChIKey is CDLCQEJKZKVQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-46-37-18-16-36(17-19-37)35-45-34-33-44-32-31-43-30-29-42-28-27-41-26-25-40-24-23-39-22-20-38/h16-19,38H,2-15,20-35H2,1H3.

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

2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 656.94 g/mol, XLogP of 7.16, 38 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 24748856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).