1-bromo-10-iododecane

C10H20BrI — CID 56624951

IUPAC1-bromo-10-iododecane
SMILESBrCCCCCCCCCCI
InChIInChI=1S/C10H20BrI/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
InChIKeyLEWJNYLBKFMXSX-UHFFFAOYSA-N
MW347.08 g/mol
LogP4.94
Rot. Bonds9

About 1-bromo-10-iododecane

1-bromo-10-iododecane (PubChem CID 56624951) has the molecular formula C10H20BrI and a molecular weight of 347.08 g/mol. Its IUPAC name is 1-bromo-10-iododecane.

Molecular Properties

Compound Name1-bromo-10-iododecane
PubChem CID56624951
Molecular FormulaC10H20BrI
Molecular Weight347.08 g/mol
Exact Mass345.98
IUPAC Name1-bromo-10-iododecane
SMILESBrCCCCCCCCCCI
InChIInChI=1S/C10H20BrI/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
InChIKeyLEWJNYLBKFMXSX-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.08
LogP ≤ 54.94
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-10-iododecane?
The IUPAC name of 1-bromo-10-iododecane (CID 56624951) is 1-bromo-10-iododecane.
What is the SMILES notation for 1-bromo-10-iododecane?
The canonical SMILES for 1-bromo-10-iododecane is BrCCCCCCCCCCI.
What is the InChIKey of 1-bromo-10-iododecane?
The InChIKey is LEWJNYLBKFMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrI/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2.
What are the key properties of 1-bromo-10-iododecane?
1-bromo-10-iododecane has a molecular weight of 347.08 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-iododecane is sourced from PubChem (CID 56624951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).