1,5-Dibromo-3-methylpentane

C₆H₁₂Br₂CAS 4457-72-1243.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂Br₂
Molar mass: 243.97 g/mol
Exact mass: 241.9306 Da
Density: 1.607 g/mL (at 20 °C)
Boiling point: 97–98.5 °C (at 10 Torr)
logP: 3.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

4457-72-1

SMILES

CC(CCBr)CCBr

InChIKey

YDPZWUMQKMLLHC-UHFFFAOYSA-N

InChI

InChI=1S/C6H12Br2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

Pentane, 1,5-dibromo-3-methyl-
3-Methyl-1,5-dibromopentane
NSC 27967

Work with 1,5-Dibromo-3-methylpentane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-3-methylbutane107-82-456 % similar 1,4-Dimethylcyclohexane589-90-253 % similar cis-1,4-Dimethylcyclohexane624-29-353 % similar 1,3-Dibromobutane107-80-250 % similar Methylcyclopentane96-37-747 % similar Methylcyclohexane108-87-244 % similar 1-Bromo-4-methylpentane626-88-043 % similar 4-Methylheptane589-53-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,5-Dibromohexane24774-58-1 1,6-Dibromohexane629-03-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook