1,3-dibromo-2,3-dimethylbutane

C6H12Br2 — CID 53440336

IUPAC1,3-dibromo-2,3-dimethylbutane
SMILESCC(CBr)C(C)(C)Br
InChIInChI=1S/C6H12Br2/c1-5(4-7)6(2,3)8/h5H,4H2,1-3H3
InChIKeyPROLBQBUEWXPSN-UHFFFAOYSA-N
MW243.97 g/mol
LogP3.19
Rot. Bonds2

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

1,3-dibromo-2,3-dimethylbutane (PubChem CID 53440336) has the molecular formula C6H12Br2 and a molecular weight of 243.97 g/mol. Its IUPAC name is 1,3-dibromo-2,3-dimethylbutane.

Molecular Properties

Compound Name1,3-dibromo-2,3-dimethylbutane
PubChem CID53440336
Molecular FormulaC6H12Br2
Molecular Weight243.97 g/mol
Exact Mass241.93
IUPAC Name1,3-dibromo-2,3-dimethylbutane
SMILESCC(CBr)C(C)(C)Br
InChIInChI=1S/C6H12Br2/c1-5(4-7)6(2,3)8/h5H,4H2,1-3H3
InChIKeyPROLBQBUEWXPSN-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.97
LogP ≤ 53.19
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

1-Bromo-3-methylbutane
CID 7891
1-Bromo-2-methylbutane
CID 25254
Propane, 1,2-dibromo-2-methyl-
CID 222657
1-Bromo-2-methylbutane, (+)-
CID 5464167
Butane, 1,3-dibromo-3-methyl-
CID 141113
2,3-Dibromo-2,3-dimethylbutane
CID 521884
1,1-Dibromo-2-methylpropane
CID 11663
1,3-Dibromoisobutane
CID 141399
2-Bromo-3-methylbutane
CID 529978
1-Bromo-2-methylbutane, (-)-
CID 68293
2,3-Dibromo-2-methylbutane
CID 79060
2-Bromo-2,3-dimethylbutane
CID 521883

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2,3-dimethylbutane?
The IUPAC name of 1,3-dibromo-2,3-dimethylbutane (CID 53440336) is 1,3-dibromo-2,3-dimethylbutane.
What is the SMILES notation for 1,3-dibromo-2,3-dimethylbutane?
The canonical SMILES for 1,3-dibromo-2,3-dimethylbutane is CC(CBr)C(C)(C)Br.
What is the InChIKey of 1,3-dibromo-2,3-dimethylbutane?
The InChIKey is PROLBQBUEWXPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2/c1-5(4-7)6(2,3)8/h5H,4H2,1-3H3.
What are the key properties of 1,3-dibromo-2,3-dimethylbutane?
1,3-dibromo-2,3-dimethylbutane has a molecular weight of 243.97 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,3-dimethylbutane is sourced from PubChem (CID 53440336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).