2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate

C32H54Br4O16 — CID 163421164

About 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate

2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate (PubChem CID 163421164) has the molecular formula C32H54Br4O16 and a molecular weight of 1014.38 g/mol. Its IUPAC name is 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate
• PubChem CID: 163421164
• Molecular Formula: C32H54Br4O16
• Molecular Weight: 1014.38 g/mol
• Exact Mass: 1010.01
• IUPAC Name: 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate
• SMILES: CC(C)(Br)C(=O)OCCOCOCC(COCOCCOC(=O)C(C)(C)Br)(COCOCCOC(=O)C(C)(C)Br)OCOCCOC(=O)C(C)(C)Br
• InChI: InChI=1S/C32H54Br4O16/c1-28(2,33)24(37)48-13-9-41-20-45-17-32(52-23-44-12-16-51-27(40)31(7,8)36,18-46-21-42-10-14-49-25(38)29(3,4)34)19-47-22-43-11-15-50-26(39)30(5,6)35/h9-23H2,1-8H3
• InChIKey: AIOGBHRHQAHYNJ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 179.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.38
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate?

The IUPAC name of 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate (CID 163421164) is 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate.

What is the SMILES notation for 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate?

The canonical SMILES for 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate is CC(C)(Br)C(=O)OCCOCOCC(COCOCCOC(=O)C(C)(C)Br)(COCOCCOC(=O)C(C)(C)Br)OCOCCOC(=O)C(C)(C)Br.

What is the InChIKey of 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate?

The InChIKey is AIOGBHRHQAHYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54Br4O16/c1-28(2,33)24(37)48-13-9-41-20-45-17-32(52-23-44-12-16-51-27(40)31(7,8)36,18-46-21-42-10-14-49-25(38)29(3,4)34)19-47-22-43-11-15-50-26(39)30(5,6)35/h9-23H2,1-8H3.

What are the key properties of 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate?

2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate has a molecular weight of 1014.38 g/mol, XLogP of 4.55, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,3-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 163421164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).