2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate

C26H41Br2NO13 — CID 146634815

About 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate

2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate (PubChem CID 146634815) has the molecular formula C26H41Br2NO13 and a molecular weight of 735.42 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate
• PubChem CID: 146634815
• Molecular Formula: C26H41Br2NO13
• Molecular Weight: 735.42 g/mol
• Exact Mass: 733.09
• IUPAC Name: 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate
• SMILES: CC(C)(Br)COCC(C)(COC(=O)C(C)(C)Br)C(=O)OCCOCCOCCOCCOC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C26H41Br2NO13/c1-24(2,27)16-38-17-26(5,18-41-21(32)25(3,4)28)22(33)39-14-12-36-10-8-35-9-11-37-13-15-40-23(34)42-29-19(30)6-7-20(29)31/h6-18H2,1-5H3
• InChIKey: KAFUOWLMNLVQRG-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 162.43 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.42
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate?

The IUPAC name of 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate (CID 146634815) is 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate.

What is the SMILES notation for 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate?

The canonical SMILES for 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate is CC(C)(Br)COCC(C)(COC(=O)C(C)(C)Br)C(=O)OCCOCCOCCOCCOC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate?

The InChIKey is KAFUOWLMNLVQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41Br2NO13/c1-24(2,27)16-38-17-26(5,18-41-21(32)25(3,4)28)22(33)39-14-12-36-10-8-35-9-11-37-13-15-40-23(34)42-29-19(30)6-7-20(29)31/h6-18H2,1-5H3.

What are the key properties of 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate?

2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate has a molecular weight of 735.42 g/mol, XLogP of 2.71, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethoxy]ethoxy]ethoxy]ethyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-(2-bromo-2-methylpropoxy)-2-methylpropanoate is sourced from PubChem (CID 146634815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).