1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane

C11H23IO5 — CID 87095629

IUPAC1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
SMILESCOCCOCCOCCOCCOCCI
InChIInChI=1S/C11H23IO5/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h2-11H2,1H3
InChIKeyWPAHNAZXLUHBBI-UHFFFAOYSA-N
MW362.20 g/mol
LogP1.13
Rot. Bonds14

About 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane

1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane (PubChem CID 87095629) has the molecular formula C11H23IO5 and a molecular weight of 362.20 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
PubChem CID87095629
Molecular FormulaC11H23IO5
Molecular Weight362.20 g/mol
Exact Mass362.06
IUPAC Name1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
SMILESCOCCOCCOCCOCCOCCI
InChIInChI=1S/C11H23IO5/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h2-11H2,1H3
InChIKeyWPAHNAZXLUHBBI-UHFFFAOYSA-N
XLogP1.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
The IUPAC name of 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane (CID 87095629) is 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane.
What is the SMILES notation for 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
The canonical SMILES for 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane is COCCOCCOCCOCCOCCI.
What is the InChIKey of 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
The InChIKey is WPAHNAZXLUHBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23IO5/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h2-11H2,1H3.
What are the key properties of 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane has a molecular weight of 362.20 g/mol, XLogP of 1.13, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane is sourced from PubChem (CID 87095629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).