1,8-dibromo-1-iodooctane

C8H15Br2I — CID 174451062

IUPAC1,8-dibromo-1-iodooctane
SMILESBrCCCCCCCC(Br)I
InChIInChI=1S/C8H15Br2I/c9-7-5-3-1-2-4-6-8(10)11/h8H,1-7H2
InChIKeyVKYSEJWCVQQPEJ-UHFFFAOYSA-N
MW397.92 g/mol
LogP4.88
Rot. Bonds7

About 1,8-dibromo-1-iodooctane

1,8-dibromo-1-iodooctane (PubChem CID 174451062) has the molecular formula C8H15Br2I and a molecular weight of 397.92 g/mol. Its IUPAC name is 1,8-dibromo-1-iodooctane.

Molecular Properties

Compound Name1,8-dibromo-1-iodooctane
PubChem CID174451062
Molecular FormulaC8H15Br2I
Molecular Weight397.92 g/mol
Exact Mass395.86
IUPAC Name1,8-dibromo-1-iodooctane
SMILESBrCCCCCCCC(Br)I
InChIInChI=1S/C8H15Br2I/c9-7-5-3-1-2-4-6-8(10)11/h8H,1-7H2
InChIKeyVKYSEJWCVQQPEJ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.92
LogP ≤ 54.88
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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Related Compounds

1,1,15-tribromopentadecane
CID 118275782
1,1,13-tribromotridecane
CID 118276299
1,8,9,18-tetrabromooctadecane
CID 54213265
1,6-dibromoheptane
CID 12575830
1,2,7-tribromoheptane
CID 140914987
1,7-dibromooctane
CID 14490019
1,2,8-tribromooctane
CID 166642867
1,6-dibromo-1-(1,6-dibromohexoxy)hexane
CID 154634435
1,40-dibromotetracontane
CID 11614635
1-bromo-11-methyldodecane
CID 15569727
1-bromo-20-methylhenicosane
CID 10982010
1,6-dibromododecane
CID 18940788

Frequently Asked Questions

What is the IUPAC name of 1,8-dibromo-1-iodooctane?
The IUPAC name of 1,8-dibromo-1-iodooctane (CID 174451062) is 1,8-dibromo-1-iodooctane.
What is the SMILES notation for 1,8-dibromo-1-iodooctane?
The canonical SMILES for 1,8-dibromo-1-iodooctane is BrCCCCCCCC(Br)I.
What is the InChIKey of 1,8-dibromo-1-iodooctane?
The InChIKey is VKYSEJWCVQQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br2I/c9-7-5-3-1-2-4-6-8(10)11/h8H,1-7H2.
What are the key properties of 1,8-dibromo-1-iodooctane?
1,8-dibromo-1-iodooctane has a molecular weight of 397.92 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dibromo-1-iodooctane is sourced from PubChem (CID 174451062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).