1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C16H34Br2O8 — CID 159080030

About 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 159080030) has the molecular formula C16H34Br2O8 and a molecular weight of 514.25 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
• PubChem CID: 159080030
• Molecular Formula: C16H34Br2O8
• Molecular Weight: 514.25 g/mol
• Exact Mass: 512.06
• IUPAC Name: 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
• SMILES: BrCCOCCOCCOCCBr.OCCOCCOCCOCCO
• InChI: InChI=1S/C8H16Br2O3.C8H18O5/c2*9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2;9-10H,1-8H2
• InChIKey: KASVSSJWZDEPQG-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.25
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

The IUPAC name of 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 159080030) is 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

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

The canonical SMILES for 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is BrCCOCCOCCOCCBr.OCCOCCOCCOCCO.

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

The InChIKey is KASVSSJWZDEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2O3.C8H18O5/c2*9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2;9-10H,1-8H2.

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

1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 514.25 g/mol, XLogP of 0.85, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 159080030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).