bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate

C54H96Br2O26 — CID 58473536

IUPACbis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1cc(Br)c(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1Br
InChIInChI=1S/C54H96Br2O26/c1-59-3-5-61-7-9-63-11-13-65-15-17-67-19-21-69-23-25-71-27-29-73-31-33-75-35-37-77-39-41-79-43-45-81-53(57)49-47-52(56)50(48-51(49)55)54(58)82-46-44-80-42-40-78-38-36-76-34-32-74-30-28-72-26-24-70-22-20-68-18-16-66-14-12-64-10-8-62-6-4-60-2/h47-48H,3-46H2,1-2H3
InChIKeyDZUVLWSKDQQCSI-UHFFFAOYSA-N
MW1321.14 g/mol
LogP3.15
Rot. Bonds68

About bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate

bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate (PubChem CID 58473536) has the molecular formula C54H96Br2O26 and a molecular weight of 1321.14 g/mol. Its IUPAC name is bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
PubChem CID58473536
Molecular FormulaC54H96Br2O26
Molecular Weight1321.14 g/mol
Exact Mass1318.46
IUPAC Namebis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1cc(Br)c(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1Br
InChIInChI=1S/C54H96Br2O26/c1-59-3-5-61-7-9-63-11-13-65-15-17-67-19-21-69-23-25-71-27-29-73-31-33-75-35-37-77-39-41-79-43-45-81-53(57)49-47-52(56)50(48-51(49)55)54(58)82-46-44-80-42-40-78-38-36-76-34-32-74-30-28-72-26-24-70-22-20-68-18-16-66-14-12-64-10-8-62-6-4-60-2/h47-48H,3-46H2,1-2H3
InChIKeyDZUVLWSKDQQCSI-UHFFFAOYSA-N
XLogP3.15
TPSA255.66 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds68
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001321.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate with MolForge

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Related Compounds

bis[2-[2-[2-[2-[2-[2-[2-[5-[2-(2-hydroperoxyethoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 146249208
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-4-bromobenzoate
CID 104562931
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
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2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
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2-(3-methoxypropoxy)ethyl 2-amino-3-bromobenzoate
CID 103178661
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2-propoxyethyl 5-amino-2-bromobenzoate
CID 63686907
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-bromo-5-iodo-4-methylbenzoate
CID 11705792
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344
3-methoxypropyl 5-amino-2-bromo-4-fluorobenzoate
CID 62815800
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate?
The IUPAC name of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate (CID 58473536) is bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate.
What is the SMILES notation for bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate?
The canonical SMILES for bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1cc(Br)c(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1Br.
What is the InChIKey of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate?
The InChIKey is DZUVLWSKDQQCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H96Br2O26/c1-59-3-5-61-7-9-63-11-13-65-15-17-67-19-21-69-23-25-71-27-29-73-31-33-75-35-37-77-39-41-79-43-45-81-53(57)49-47-52(56)50(48-51(49)55)54(58)82-46-44-80-42-40-78-38-36-76-34-32-74-30-28-72-26-24-70-22-20-68-18-16-66-14-12-64-10-8-62-6-4-60-2/h47-48H,3-46H2,1-2H3.
What are the key properties of bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate?
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate has a molecular weight of 1321.14 g/mol, XLogP of 3.15, 68 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate is sourced from PubChem (CID 58473536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).