1-iodo-4-(iodomethoxy)butane

C5H10I2O — CID 14661365

IUPAC1-iodo-4-(iodomethoxy)butane
SMILESICCCCOCI
InChIInChI=1S/C5H10I2O/c6-3-1-2-4-8-5-7/h1-5H2
InChIKeyRTSNNSBTVYLHQZ-UHFFFAOYSA-N
MW339.94 g/mol
LogP2.61
Rot. Bonds5

About 1-iodo-4-(iodomethoxy)butane

1-iodo-4-(iodomethoxy)butane (PubChem CID 14661365) has the molecular formula C5H10I2O and a molecular weight of 339.94 g/mol. Its IUPAC name is 1-iodo-4-(iodomethoxy)butane.

Molecular Properties

Compound Name1-iodo-4-(iodomethoxy)butane
PubChem CID14661365
Molecular FormulaC5H10I2O
Molecular Weight339.94 g/mol
Exact Mass339.88
IUPAC Name1-iodo-4-(iodomethoxy)butane
SMILESICCCCOCI
InChIInChI=1S/C5H10I2O/c6-3-1-2-4-8-5-7/h1-5H2
InChIKeyRTSNNSBTVYLHQZ-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.94
LogP ≤ 52.61
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-4-(iodomethoxy)butane?
The IUPAC name of 1-iodo-4-(iodomethoxy)butane (CID 14661365) is 1-iodo-4-(iodomethoxy)butane.
What is the SMILES notation for 1-iodo-4-(iodomethoxy)butane?
The canonical SMILES for 1-iodo-4-(iodomethoxy)butane is ICCCCOCI.
What is the InChIKey of 1-iodo-4-(iodomethoxy)butane?
The InChIKey is RTSNNSBTVYLHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10I2O/c6-3-1-2-4-8-5-7/h1-5H2.
What are the key properties of 1-iodo-4-(iodomethoxy)butane?
1-iodo-4-(iodomethoxy)butane has a molecular weight of 339.94 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(iodomethoxy)butane is sourced from PubChem (CID 14661365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).