2,2-dibromo-3-methylbutane

C5H10Br2 — CID 13047634

IUPAC2,2-dibromo-3-methylbutane
SMILESCC(C)C(C)(Br)Br
InChIInChI=1S/C5H10Br2/c1-4(2)5(3,6)7/h4H,1-3H3
InChIKeyLWGBKTJXLPHGPA-UHFFFAOYSA-N
MW229.94 g/mol
LogP3.15
Rot. Bonds1

About 2,2-dibromo-3-methylbutane

2,2-dibromo-3-methylbutane (PubChem CID 13047634) has the molecular formula C5H10Br2 and a molecular weight of 229.94 g/mol. Its IUPAC name is 2,2-dibromo-3-methylbutane.

Molecular Properties

Compound Name2,2-dibromo-3-methylbutane
PubChem CID13047634
Molecular FormulaC5H10Br2
Molecular Weight229.94 g/mol
Exact Mass227.91
IUPAC Name2,2-dibromo-3-methylbutane
SMILESCC(C)C(C)(Br)Br
InChIInChI=1S/C5H10Br2/c1-4(2)5(3,6)7/h4H,1-3H3
InChIKeyLWGBKTJXLPHGPA-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.94
LogP ≤ 53.15
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

2-Bromo-2-methylbutane
CID 68180
Butane, 1,3-dibromo-3-methyl-
CID 141113
2,3-Dibromo-2,3-dimethylbutane
CID 521884
2-Bromo-3-methylbutane
CID 529978
2,3-Dibromo-2-methylbutane
CID 79060
2-Bromo-2,3-dimethylbutane
CID 521883
1,4-Dibromo-2,3-dimethylbutane
CID 14591679
1,2-Dibromo-2-methylbutane
CID 517840
1,2-Dibromo-3-methylbutane
CID 139124
1,4-Dibromo-2-methylbutane
CID 143172
1,2,3,4-Tetrabromo-2-methylbutane
CID 23268903
1,3-Dibromo-2,3-dimethylbutane
CID 53440336

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-3-methylbutane?
The IUPAC name of 2,2-dibromo-3-methylbutane (CID 13047634) is 2,2-dibromo-3-methylbutane.
What is the SMILES notation for 2,2-dibromo-3-methylbutane?
The canonical SMILES for 2,2-dibromo-3-methylbutane is CC(C)C(C)(Br)Br.
What is the InChIKey of 2,2-dibromo-3-methylbutane?
The InChIKey is LWGBKTJXLPHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2/c1-4(2)5(3,6)7/h4H,1-3H3.
What are the key properties of 2,2-dibromo-3-methylbutane?
2,2-dibromo-3-methylbutane has a molecular weight of 229.94 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-3-methylbutane is sourced from PubChem (CID 13047634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).