1,2,8-tribromooctane

C8H15Br3 — CID 166642867

IUPAC1,2,8-tribromooctane
SMILESBrCCCCCCC(Br)CBr
InChIInChI=1S/C8H15Br3/c9-6-4-2-1-3-5-8(11)7-10/h8H,1-7H2
InChIKeyAVXMMJVNMXWXTM-UHFFFAOYSA-N
MW350.92 g/mol
LogP4.49
Rot. Bonds7

About 1,2,8-tribromooctane

1,2,8-tribromooctane (PubChem CID 166642867) has the molecular formula C8H15Br3 and a molecular weight of 350.92 g/mol. Its IUPAC name is 1,2,8-tribromooctane.

Molecular Properties

Compound Name1,2,8-tribromooctane
PubChem CID166642867
Molecular FormulaC8H15Br3
Molecular Weight350.92 g/mol
Exact Mass347.87
IUPAC Name1,2,8-tribromooctane
SMILESBrCCCCCCC(Br)CBr
InChIInChI=1S/C8H15Br3/c9-6-4-2-1-3-5-8(11)7-10/h8H,1-7H2
InChIKeyAVXMMJVNMXWXTM-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.49
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'}

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Related Compounds

Hexabromocyclododecane
CID 33121
1,2,5,6,9,10-Hexabromocyclododecane
CID 18529
1,2,5,6-Tetrabromocyclooctane
CID 296646
1,12-Dibromododecane
CID 18766
1,10-Dibromodecane
CID 221483
1,9-Dibromononane
CID 20677
Sec-octyl bromide, (+-)-
CID 79046
2-Bromododecane
CID 98299
Bromocyclooctane
CID 73783
1,7-Dibromoheptane
CID 78309
1,8-Dibromooctane
CID 78310
1,2-Dibromocyclooctane
CID 141538

Frequently Asked Questions

What is the IUPAC name of 1,2,8-tribromooctane?
The IUPAC name of 1,2,8-tribromooctane (CID 166642867) is 1,2,8-tribromooctane.
What is the SMILES notation for 1,2,8-tribromooctane?
The canonical SMILES for 1,2,8-tribromooctane is BrCCCCCCC(Br)CBr.
What is the InChIKey of 1,2,8-tribromooctane?
The InChIKey is AVXMMJVNMXWXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br3/c9-6-4-2-1-3-5-8(11)7-10/h8H,1-7H2.
What are the key properties of 1,2,8-tribromooctane?
1,2,8-tribromooctane has a molecular weight of 350.92 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-tribromooctane is sourced from PubChem (CID 166642867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).