1-iodo-2-(2-iodoethoxy)ethane

C4H8I2O — CID 3430779

IUPAC1-iodo-2-(2-iodoethoxy)ethane
SMILESICCOCCI
InChIInChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2
InChIKeyXWYDQETVMJZUOJ-UHFFFAOYSA-N
MW325.92 g/mol
LogP1.87
Rot. Bonds4

About 1-iodo-2-(2-iodoethoxy)ethane

1-iodo-2-(2-iodoethoxy)ethane (PubChem CID 3430779) has the molecular formula C4H8I2O and a molecular weight of 325.92 g/mol. Its IUPAC name is 1-iodo-2-(2-iodoethoxy)ethane.

Molecular Properties

Compound Name1-iodo-2-(2-iodoethoxy)ethane
PubChem CID3430779
Molecular FormulaC4H8I2O
Molecular Weight325.92 g/mol
Exact Mass325.87
IUPAC Name1-iodo-2-(2-iodoethoxy)ethane
SMILESICCOCCI
InChIInChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2
InChIKeyXWYDQETVMJZUOJ-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-iodo-2-(2-iodoethoxy)ethane?
The IUPAC name of 1-iodo-2-(2-iodoethoxy)ethane (CID 3430779) is 1-iodo-2-(2-iodoethoxy)ethane.
What is the SMILES notation for 1-iodo-2-(2-iodoethoxy)ethane?
The canonical SMILES for 1-iodo-2-(2-iodoethoxy)ethane is ICCOCCI.
What is the InChIKey of 1-iodo-2-(2-iodoethoxy)ethane?
The InChIKey is XWYDQETVMJZUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2.
What are the key properties of 1-iodo-2-(2-iodoethoxy)ethane?
1-iodo-2-(2-iodoethoxy)ethane has a molecular weight of 325.92 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(2-iodoethoxy)ethane is sourced from PubChem (CID 3430779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).