1,4-dibromo-2,3-dimethylbutane

C6H12Br2 — CID 14591679

IUPAC1,4-dibromo-2,3-dimethylbutane
SMILESCC(CBr)C(C)CBr
InChIInChI=1S/C6H12Br2/c1-5(3-7)6(2)4-8/h5-6H,3-4H2,1-2H3
InChIKeySTFHKSYRFIGDIE-UHFFFAOYSA-N
MW243.97 g/mol
LogP3.05
Rot. Bonds3

About 1,4-dibromo-2,3-dimethylbutane

1,4-dibromo-2,3-dimethylbutane (PubChem CID 14591679) has the molecular formula C6H12Br2 and a molecular weight of 243.97 g/mol. Its IUPAC name is 1,4-dibromo-2,3-dimethylbutane.

Molecular Properties

Compound Name1,4-dibromo-2,3-dimethylbutane
PubChem CID14591679
Molecular FormulaC6H12Br2
Molecular Weight243.97 g/mol
Exact Mass241.93
IUPAC Name1,4-dibromo-2,3-dimethylbutane
SMILESCC(CBr)C(C)CBr
InChIInChI=1S/C6H12Br2/c1-5(3-7)6(2)4-8/h5-6H,3-4H2,1-2H3
InChIKeySTFHKSYRFIGDIE-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.97
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dibromo-2,3-dimethylbutane 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 1,4-dibromo-2,3-dimethylbutane?
The IUPAC name of 1,4-dibromo-2,3-dimethylbutane (CID 14591679) is 1,4-dibromo-2,3-dimethylbutane.
What is the SMILES notation for 1,4-dibromo-2,3-dimethylbutane?
The canonical SMILES for 1,4-dibromo-2,3-dimethylbutane is CC(CBr)C(C)CBr.
What is the InChIKey of 1,4-dibromo-2,3-dimethylbutane?
The InChIKey is STFHKSYRFIGDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2/c1-5(3-7)6(2)4-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,4-dibromo-2,3-dimethylbutane?
1,4-dibromo-2,3-dimethylbutane has a molecular weight of 243.97 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,3-dimethylbutane is sourced from PubChem (CID 14591679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).