1,2-bis(2-iodoethoxy)ethane

C6H12I2O2 — CID 593436

IUPAC1,2-bis(2-iodoethoxy)ethane
SMILESICCOCCOCCI
InChIInChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
InChIKeyBCAGFJXMCZSAHD-UHFFFAOYSA-N
MW369.97 g/mol
LogP1.89
Rot. Bonds7

About 1,2-bis(2-iodoethoxy)ethane

1,2-bis(2-iodoethoxy)ethane (PubChem CID 593436) has the molecular formula C6H12I2O2 and a molecular weight of 369.97 g/mol. Its IUPAC name is 1,2-bis(2-iodoethoxy)ethane.

Molecular Properties

Compound Name1,2-bis(2-iodoethoxy)ethane
PubChem CID593436
Molecular FormulaC6H12I2O2
Molecular Weight369.97 g/mol
Exact Mass369.89
IUPAC Name1,2-bis(2-iodoethoxy)ethane
SMILESICCOCCOCCI
InChIInChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
InChIKeyBCAGFJXMCZSAHD-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.97
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bis(2-iodoethoxy)ethane?
The IUPAC name of 1,2-bis(2-iodoethoxy)ethane (CID 593436) is 1,2-bis(2-iodoethoxy)ethane.
What is the SMILES notation for 1,2-bis(2-iodoethoxy)ethane?
The canonical SMILES for 1,2-bis(2-iodoethoxy)ethane is ICCOCCOCCI.
What is the InChIKey of 1,2-bis(2-iodoethoxy)ethane?
The InChIKey is BCAGFJXMCZSAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2.
What are the key properties of 1,2-bis(2-iodoethoxy)ethane?
1,2-bis(2-iodoethoxy)ethane has a molecular weight of 369.97 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-iodoethoxy)ethane is sourced from PubChem (CID 593436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).