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

C33H56Br4O16 — CID 159253551

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

2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate (PubChem CID 159253551) has the molecular formula C33H56Br4O16 and a molecular weight of 1028.41 g/mol. Its IUPAC name is 2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate
• PubChem CID: 159253551
• Molecular Formula: C33H56Br4O16
• Molecular Weight: 1028.41 g/mol
• Exact Mass: 1024.03
• IUPAC Name: 2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[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)COCOCCOC(=O)C(C)(C)Br
• InChI: InChI=1S/C33H56Br4O16/c1-29(2,34)25(38)50-13-9-42-21-46-17-33(18-47-22-43-10-14-51-26(39)30(3,4)35,19-48-23-44-11-15-52-27(40)31(5,6)36)20-49-24-45-12-16-53-28(41)32(7,8)37/h9-24H2,1-8H3
• InChIKey: KVPJAXOVHCZBCG-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 179.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.41
LogP ≤ 5	4.80
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-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate?

The IUPAC name of 2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate (CID 159253551) is 2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate.

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

The canonical SMILES for 2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[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)COCOCCOC(=O)C(C)(C)Br.

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

The InChIKey is KVPJAXOVHCZBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56Br4O16/c1-29(2,34)25(38)50-13-9-42-21-46-17-33(18-47-22-43-10-14-51-26(39)30(3,4)35,19-48-23-44-11-15-52-27(40)31(5,6)36)20-49-24-45-12-16-53-28(41)32(7,8)37/h9-24H2,1-8H3.

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

2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate has a molecular weight of 1028.41 g/mol, XLogP of 4.80, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 159253551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).