1,2,4,5-tetraiodohexane

C6H10I4 — CID 174402213

IUPAC1,2,4,5-tetraiodohexane
SMILESCC(I)C(I)CC(I)CI
InChIInChI=1S/C6H10I4/c1-4(8)6(10)2-5(9)3-7/h4-6H,2-3H2,1H3
InChIKeyGTJMXHUZKZLTJW-UHFFFAOYSA-N
MW589.76 g/mol
LogP4.24
Rot. Bonds4

About 1,2,4,5-tetraiodohexane

1,2,4,5-tetraiodohexane (PubChem CID 174402213) has the molecular formula C6H10I4 and a molecular weight of 589.76 g/mol. Its IUPAC name is 1,2,4,5-tetraiodohexane.

Molecular Properties

Compound Name1,2,4,5-tetraiodohexane
PubChem CID174402213
Molecular FormulaC6H10I4
Molecular Weight589.76 g/mol
Exact Mass589.70
IUPAC Name1,2,4,5-tetraiodohexane
SMILESCC(I)C(I)CC(I)CI
InChIInChI=1S/C6H10I4/c1-4(8)6(10)2-5(9)3-7/h4-6H,2-3H2,1H3
InChIKeyGTJMXHUZKZLTJW-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.76
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 1,2,4,5-tetraiodohexane?
The IUPAC name of 1,2,4,5-tetraiodohexane (CID 174402213) is 1,2,4,5-tetraiodohexane.
What is the SMILES notation for 1,2,4,5-tetraiodohexane?
The canonical SMILES for 1,2,4,5-tetraiodohexane is CC(I)C(I)CC(I)CI.
What is the InChIKey of 1,2,4,5-tetraiodohexane?
The InChIKey is GTJMXHUZKZLTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10I4/c1-4(8)6(10)2-5(9)3-7/h4-6H,2-3H2,1H3.
What are the key properties of 1,2,4,5-tetraiodohexane?
1,2,4,5-tetraiodohexane has a molecular weight of 589.76 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetraiodohexane is sourced from PubChem (CID 174402213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).