2,4-dibromooctane

C8H16Br2 — CID 150795215

IUPAC2,4-dibromooctane
SMILESCCCCC(Br)CC(C)Br
InChIInChI=1S/C8H16Br2/c1-3-4-5-8(10)6-7(2)9/h7-8H,3-6H2,1-2H3
InChIKeyKERPUASTCQGWRQ-UHFFFAOYSA-N
MW272.02 g/mol
LogP4.11
Rot. Bonds5

About 2,4-dibromooctane

2,4-dibromooctane (PubChem CID 150795215) has the molecular formula C8H16Br2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 2,4-dibromooctane.

Molecular Properties

Compound Name2,4-dibromooctane
PubChem CID150795215
Molecular FormulaC8H16Br2
Molecular Weight272.02 g/mol
Exact Mass269.96
IUPAC Name2,4-dibromooctane
SMILESCCCCC(Br)CC(C)Br
InChIInChI=1S/C8H16Br2/c1-3-4-5-8(10)6-7(2)9/h7-8H,3-6H2,1-2H3
InChIKeyKERPUASTCQGWRQ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methyloctane;hydrobromide
CID 175067388
(3R)-1,3-dibromoheptane
CID 129379896
1,1,3-tribromooctane
CID 10861079
(2R)-2-bromohexan-1-ol
CID 131142096
2-bromo-4-methylundecane
CID 64721914
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
3-bromo-1,1-difluorononane
CID 24977728
1,4-dibromononane
CID 123668754
1,3-dibromododecane
CID 122583611
1,3-dibromoundecane
CID 122583600
1,6-dibromododecane
CID 18940788

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromooctane?
The IUPAC name of 2,4-dibromooctane (CID 150795215) is 2,4-dibromooctane.
What is the SMILES notation for 2,4-dibromooctane?
The canonical SMILES for 2,4-dibromooctane is CCCCC(Br)CC(C)Br.
What is the InChIKey of 2,4-dibromooctane?
The InChIKey is KERPUASTCQGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2/c1-3-4-5-8(10)6-7(2)9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,4-dibromooctane?
2,4-dibromooctane has a molecular weight of 272.02 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromooctane is sourced from PubChem (CID 150795215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).