1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene

C34H60I2O14 — CID 101344501

IUPAC1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene
SMILESCCOC(COCCOCCOCCOCCOc1cc(I)c(OCCOCCOCCOCCOCC(OCC)OCC)cc1I)OCC
InChIInChI=1S/C34H60I2O14/c1-5-45-33(46-6-2)27-43-19-17-39-11-9-37-13-15-41-21-23-49-31-25-30(36)32(26-29(31)35)50-24-22-42-16-14-38-10-12-40-18-20-44-28-34(47-7-3)48-8-4/h25-26,33-34H,5-24,27-28H2,1-4H3
InChIKeyKPQARKYRAVZYNY-UHFFFAOYSA-N
MW946.65 g/mol
LogP4.58
Rot. Bonds38

About 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene

1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene (PubChem CID 101344501) has the molecular formula C34H60I2O14 and a molecular weight of 946.65 g/mol. Its IUPAC name is 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene.

Molecular Properties

Compound Name1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene
PubChem CID101344501
Molecular FormulaC34H60I2O14
Molecular Weight946.65 g/mol
Exact Mass946.21
IUPAC Name1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene
SMILESCCOC(COCCOCCOCCOCCOc1cc(I)c(OCCOCCOCCOCCOCC(OCC)OCC)cc1I)OCC
InChIInChI=1S/C34H60I2O14/c1-5-45-33(46-6-2)27-43-19-17-39-11-9-37-13-15-41-21-23-49-31-25-30(36)32(26-29(31)35)50-24-22-42-16-14-38-10-12-40-18-20-44-28-34(47-7-3)48-8-4/h25-26,33-34H,5-24,27-28H2,1-4H3
InChIKeyKPQARKYRAVZYNY-UHFFFAOYSA-N
XLogP4.58
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds38
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.65
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene?
The IUPAC name of 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene (CID 101344501) is 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene.
What is the SMILES notation for 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene?
The canonical SMILES for 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene is CCOC(COCCOCCOCCOCCOc1cc(I)c(OCCOCCOCCOCCOCC(OCC)OCC)cc1I)OCC.
What is the InChIKey of 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene?
The InChIKey is KPQARKYRAVZYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60I2O14/c1-5-45-33(46-6-2)27-43-19-17-39-11-9-37-13-15-41-21-23-49-31-25-30(36)32(26-29(31)35)50-24-22-42-16-14-38-10-12-40-18-20-44-28-34(47-7-3)48-8-4/h25-26,33-34H,5-24,27-28H2,1-4H3.
What are the key properties of 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene?
1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene has a molecular weight of 946.65 g/mol, XLogP of 4.58, 38 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene is sourced from PubChem (CID 101344501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).