1-bromo-6-iodohexane

C6H12BrI — CID 21297116

IUPAC1-bromo-6-iodohexane
SMILESBrCCCCCCI
InChIInChI=1S/C6H12BrI/c7-5-3-1-2-4-6-8/h1-6H2
InChIKeyYIMPISOHWYXINO-UHFFFAOYSA-N
MW290.97 g/mol
LogP3.38
Rot. Bonds5

About 1-bromo-6-iodohexane

1-bromo-6-iodohexane (PubChem CID 21297116) has the molecular formula C6H12BrI and a molecular weight of 290.97 g/mol. Its IUPAC name is 1-bromo-6-iodohexane.

Molecular Properties

Compound Name1-bromo-6-iodohexane
PubChem CID21297116
Molecular FormulaC6H12BrI
Molecular Weight290.97 g/mol
Exact Mass289.92
IUPAC Name1-bromo-6-iodohexane
SMILESBrCCCCCCI
InChIInChI=1S/C6H12BrI/c7-5-3-1-2-4-6-8/h1-6H2
InChIKeyYIMPISOHWYXINO-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.97
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-6-iodohexane?
The IUPAC name of 1-bromo-6-iodohexane (CID 21297116) is 1-bromo-6-iodohexane.
What is the SMILES notation for 1-bromo-6-iodohexane?
The canonical SMILES for 1-bromo-6-iodohexane is BrCCCCCCI.
What is the InChIKey of 1-bromo-6-iodohexane?
The InChIKey is YIMPISOHWYXINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrI/c7-5-3-1-2-4-6-8/h1-6H2.
What are the key properties of 1-bromo-6-iodohexane?
1-bromo-6-iodohexane has a molecular weight of 290.97 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-iodohexane is sourced from PubChem (CID 21297116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).