1-bromo-8-iodooctane

C8H16BrI — CID 57005966

IUPAC1-bromo-8-iodooctane
SMILESBrCCCCCCCCI
InChIInChI=1S/C8H16BrI/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKeySGHBPXOHQQYDQZ-UHFFFAOYSA-N
MW319.02 g/mol
LogP4.16
Rot. Bonds7

About 1-bromo-8-iodooctane

1-bromo-8-iodooctane (PubChem CID 57005966) has the molecular formula C8H16BrI and a molecular weight of 319.02 g/mol. Its IUPAC name is 1-bromo-8-iodooctane.

Molecular Properties

Compound Name1-bromo-8-iodooctane
PubChem CID57005966
Molecular FormulaC8H16BrI
Molecular Weight319.02 g/mol
Exact Mass317.95
IUPAC Name1-bromo-8-iodooctane
SMILESBrCCCCCCCCI
InChIInChI=1S/C8H16BrI/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKeySGHBPXOHQQYDQZ-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 54.16
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'}

Analyze 1-bromo-8-iodooctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-iodooctane?
The IUPAC name of 1-bromo-8-iodooctane (CID 57005966) is 1-bromo-8-iodooctane.
What is the SMILES notation for 1-bromo-8-iodooctane?
The canonical SMILES for 1-bromo-8-iodooctane is BrCCCCCCCCI.
What is the InChIKey of 1-bromo-8-iodooctane?
The InChIKey is SGHBPXOHQQYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrI/c9-7-5-3-1-2-4-6-8-10/h1-8H2.
What are the key properties of 1-bromo-8-iodooctane?
1-bromo-8-iodooctane has a molecular weight of 319.02 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-iodooctane is sourced from PubChem (CID 57005966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).