2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C16H32Br2O9 — CID 174221710

About 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 174221710) has the molecular formula C16H32Br2O9 and a molecular weight of 528.23 g/mol. Its IUPAC name is 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 174221710
• Molecular Formula: C16H32Br2O9
• Molecular Weight: 528.23 g/mol
• Exact Mass: 526.04
• IUPAC Name: 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOC(Br)COCC(Br)OCCOCCOCCO
• InChI: InChI=1S/C16H32Br2O9/c17-15(26-11-9-23-7-5-21-3-1-19)13-25-14-16(18)27-12-10-24-8-6-22-4-2-20/h15-16,19-20H,1-14H2
• InChIKey: ATZMEXBGBLMPGZ-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.23
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 174221710) is 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOC(Br)COCC(Br)OCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is ATZMEXBGBLMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32Br2O9/c17-15(26-11-9-23-7-5-21-3-1-19)13-25-14-16(18)27-12-10-24-8-6-22-4-2-20/h15-16,19-20H,1-14H2.

What are the key properties of 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 528.23 g/mol, XLogP of 0.53, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[1-bromo-2-[2-bromo-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 174221710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).