1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene

C26H44Br2O10 — CID 134128519

IUPAC1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCOCCOCCOCCOCCOCc1cc(Br)c(COCCOCCOCCOCCOC)cc1Br
InChIInChI=1S/C26H44Br2O10/c1-29-3-5-31-7-9-33-11-13-35-15-17-37-21-23-19-26(28)24(20-25(23)27)22-38-18-16-36-14-12-34-10-8-32-6-4-30-2/h19-20H,3-18,21-22H2,1-2H3
InChIKeyCSPMEJCMZUZIDO-UHFFFAOYSA-N
MW676.44 g/mol
LogP3.64
Rot. Bonds28

About 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene

1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene (PubChem CID 134128519) has the molecular formula C26H44Br2O10 and a molecular weight of 676.44 g/mol. Its IUPAC name is 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
PubChem CID134128519
Molecular FormulaC26H44Br2O10
Molecular Weight676.44 g/mol
Exact Mass674.13
IUPAC Name1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCOCCOCCOCCOCCOCc1cc(Br)c(COCCOCCOCCOCCOC)cc1Br
InChIInChI=1S/C26H44Br2O10/c1-29-3-5-31-7-9-33-11-13-35-15-17-37-21-23-19-26(28)24(20-25(23)27)22-38-18-16-36-14-12-34-10-8-32-6-4-30-2/h19-20H,3-18,21-22H2,1-2H3
InChIKeyCSPMEJCMZUZIDO-UHFFFAOYSA-N
XLogP3.64
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
[3-bromo-4-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103181139
1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
CID 102273411
N-[[3-bromo-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]ethanamine
CID 103406158
2-bromo-3-(2-methoxyethoxymethyl)thiophene
CID 165349893
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 107275281

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
The IUPAC name of 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene (CID 134128519) is 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene.
What is the SMILES notation for 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
The canonical SMILES for 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene is COCCOCCOCCOCCOCc1cc(Br)c(COCCOCCOCCOCCOC)cc1Br.
What is the InChIKey of 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
The InChIKey is CSPMEJCMZUZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44Br2O10/c1-29-3-5-31-7-9-33-11-13-35-15-17-37-21-23-19-26(28)24(20-25(23)27)22-38-18-16-36-14-12-34-10-8-32-6-4-30-2/h19-20H,3-18,21-22H2,1-2H3.
What are the key properties of 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene?
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene has a molecular weight of 676.44 g/mol, XLogP of 3.64, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene is sourced from PubChem (CID 134128519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).