1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene

C20H20I6O5 — CID 18987005

IUPAC1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
SMILESIc1cc(I)c(OCCOCCOCCOCCOc2c(I)cc(I)cc2I)c(I)c1
InChIInChI=1S/C20H20I6O5/c21-13-9-15(23)19(16(24)10-13)30-7-5-28-3-1-27-2-4-29-6-8-31-20-17(25)11-14(22)12-18(20)26/h9-12H,1-8H2
InChIKeyDCTUWJSQVLZPDX-UHFFFAOYSA-N
MW1101.80 g/mol
LogP6.82
Rot. Bonds14

About 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene

1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene (PubChem CID 18987005) has the molecular formula C20H20I6O5 and a molecular weight of 1101.80 g/mol. Its IUPAC name is 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
PubChem CID18987005
Molecular FormulaC20H20I6O5
Molecular Weight1101.80 g/mol
Exact Mass1101.56
IUPAC Name1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
SMILESIc1cc(I)c(OCCOCCOCCOCCOc2c(I)cc(I)cc2I)c(I)c1
InChIInChI=1S/C20H20I6O5/c21-13-9-15(23)19(16(24)10-13)30-7-5-28-3-1-27-2-4-29-6-8-31-20-17(25)11-14(22)12-18(20)26/h9-12H,1-8H2
InChIKeyDCTUWJSQVLZPDX-UHFFFAOYSA-N
XLogP6.82
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.80
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(3-chloropropoxy)-1,3,5-triiodobenzene
CID 43128717
2,2-difluoro-3-[2-(2,4,6-triiodophenoxy)ethoxy]propanoic acid
CID 160596665
1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene
CID 169045547
2-dodecoxy-1,3,5-triiodobenzene
CID 139999122
2-hexoxy-1,3,5-triiodobenzene
CID 18999254
2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine
CID 63551677
5-(2,4,6-triiodophenoxy)pentanoic acid
CID 43128706
1,3,5-triiodo-2-(methoxymethoxy)benzene
CID 102384226
7-(2,4,6-triiodophenoxy)heptanoic acid
CID 22939822
16-(2,4,6-triiodophenoxy)hexadecanoic acid
CID 22939823
N'-hydroxy-3-(2,4,6-triiodophenoxy)propanimidamide
CID 43128728
2-[3-(2,4,6-triiodophenoxy)propoxy]aniline
CID 63461018

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene (CID 18987005) is 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene is Ic1cc(I)c(OCCOCCOCCOCCOc2c(I)cc(I)cc2I)c(I)c1.
What is the InChIKey of 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?
The InChIKey is DCTUWJSQVLZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20I6O5/c21-13-9-15(23)19(16(24)10-13)30-7-5-28-3-1-27-2-4-29-6-8-31-20-17(25)11-14(22)12-18(20)26/h9-12H,1-8H2.
What are the key properties of 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene?
1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene has a molecular weight of 1101.80 g/mol, XLogP of 6.82, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 18987005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).