2,3,4,5-tetrabromo-2,5-dimethylhexane

C8H14Br4 — CID 87971096

IUPAC2,3,4,5-tetrabromo-2,5-dimethylhexane
SMILESCC(C)(Br)C(Br)C(Br)C(C)(C)Br
InChIInChI=1S/C8H14Br4/c1-7(2,11)5(9)6(10)8(3,4)12/h5-6H,1-4H3
InChIKeyWMBQPYMWHOVRMW-UHFFFAOYSA-N
MW429.82 g/mol
LogP4.86
Rot. Bonds3

About 2,3,4,5-tetrabromo-2,5-dimethylhexane

2,3,4,5-tetrabromo-2,5-dimethylhexane (PubChem CID 87971096) has the molecular formula C8H14Br4 and a molecular weight of 429.82 g/mol. Its IUPAC name is 2,3,4,5-tetrabromo-2,5-dimethylhexane.

Molecular Properties

Compound Name2,3,4,5-tetrabromo-2,5-dimethylhexane
PubChem CID87971096
Molecular FormulaC8H14Br4
Molecular Weight429.82 g/mol
Exact Mass425.78
IUPAC Name2,3,4,5-tetrabromo-2,5-dimethylhexane
SMILESCC(C)(Br)C(Br)C(Br)C(C)(C)Br
InChIInChI=1S/C8H14Br4/c1-7(2,11)5(9)6(10)8(3,4)12/h5-6H,1-4H3
InChIKeyWMBQPYMWHOVRMW-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.82
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrabromo-2,5-dimethylhexane?
The IUPAC name of 2,3,4,5-tetrabromo-2,5-dimethylhexane (CID 87971096) is 2,3,4,5-tetrabromo-2,5-dimethylhexane.
What is the SMILES notation for 2,3,4,5-tetrabromo-2,5-dimethylhexane?
The canonical SMILES for 2,3,4,5-tetrabromo-2,5-dimethylhexane is CC(C)(Br)C(Br)C(Br)C(C)(C)Br.
What is the InChIKey of 2,3,4,5-tetrabromo-2,5-dimethylhexane?
The InChIKey is WMBQPYMWHOVRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br4/c1-7(2,11)5(9)6(10)8(3,4)12/h5-6H,1-4H3.
What are the key properties of 2,3,4,5-tetrabromo-2,5-dimethylhexane?
2,3,4,5-tetrabromo-2,5-dimethylhexane has a molecular weight of 429.82 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabromo-2,5-dimethylhexane is sourced from PubChem (CID 87971096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).