1-bromo-11-iodoundecane

C11H22BrI — CID 549994

IUPAC1-bromo-11-iodoundecane
SMILESBrCCCCCCCCCCCI
InChIInChI=1S/C11H22BrI/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChIKeyYIAXRTMSPXAUAF-UHFFFAOYSA-N
MW361.11 g/mol
LogP5.33
Rot. Bonds10

About 1-bromo-11-iodoundecane

1-bromo-11-iodoundecane (PubChem CID 549994) has the molecular formula C11H22BrI and a molecular weight of 361.11 g/mol. Its IUPAC name is 1-bromo-11-iodoundecane.

Molecular Properties

Compound Name1-bromo-11-iodoundecane
PubChem CID549994
Molecular FormulaC11H22BrI
Molecular Weight361.11 g/mol
Exact Mass359.99
IUPAC Name1-bromo-11-iodoundecane
SMILESBrCCCCCCCCCCCI
InChIInChI=1S/C11H22BrI/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChIKeyYIAXRTMSPXAUAF-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.11
LogP ≤ 55.33
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-11-iodoundecane?
The IUPAC name of 1-bromo-11-iodoundecane (CID 549994) is 1-bromo-11-iodoundecane.
What is the SMILES notation for 1-bromo-11-iodoundecane?
The canonical SMILES for 1-bromo-11-iodoundecane is BrCCCCCCCCCCCI.
What is the InChIKey of 1-bromo-11-iodoundecane?
The InChIKey is YIAXRTMSPXAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrI/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2.
What are the key properties of 1-bromo-11-iodoundecane?
1-bromo-11-iodoundecane has a molecular weight of 361.11 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-11-iodoundecane is sourced from PubChem (CID 549994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).