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

C20H32I2O8 — CID 67250875

IUPAC1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCOCCOCCOCCOc1cc(I)c(OCCOCCOCCOC)cc1I
InChIInChI=1S/C20H32I2O8/c1-23-3-5-25-7-9-27-11-13-29-19-15-18(22)20(16-17(19)21)30-14-12-28-10-8-26-6-4-24-2/h15-16H,3-14H2,1-2H3
InChIKeyKUKZYKPGRDCALU-UHFFFAOYSA-N
MW654.28 g/mol
LogP3.01
Rot. Bonds20

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

1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 67250875) has the molecular formula C20H32I2O8 and a molecular weight of 654.28 g/mol. Its IUPAC name is 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID67250875
Molecular FormulaC20H32I2O8
Molecular Weight654.28 g/mol
Exact Mass654.02
IUPAC Name1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
SMILESCOCCOCCOCCOc1cc(I)c(OCCOCCOCCOC)cc1I
InChIInChI=1S/C20H32I2O8/c1-23-3-5-25-7-9-27-11-13-29-19-15-18(22)20(16-17(19)21)30-14-12-28-10-8-26-6-4-24-2/h15-16H,3-14H2,1-2H3
InChIKeyKUKZYKPGRDCALU-UHFFFAOYSA-N
XLogP3.01
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2,5-diiodo-4-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 101344499
3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 102211812
4-iodo-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-nitroaniline
CID 22448889
1,4-bis[2-[2-[2-[2-(2,2-diethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodobenzene
CID 101344501
[4-(hydroxymethyl)-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanol
CID 86247130
1,5-dibromo-2-ethoxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 171472574
CID 172826348
CID 172826348
3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
1,4-bis(3-bromopropoxy)-2,5-diiodobenzene
CID 66664651

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene (CID 67250875) is 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is COCCOCCOCCOc1cc(I)c(OCCOCCOCCOC)cc1I.
What is the InChIKey of 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is KUKZYKPGRDCALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32I2O8/c1-23-3-5-25-7-9-27-11-13-29-19-15-18(22)20(16-17(19)21)30-14-12-28-10-8-26-6-4-24-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene?
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 654.28 g/mol, XLogP of 3.01, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 67250875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).