chempirical

6-Bromo-1-hexanol

C6H13BrOCAS 4286-55-9181.07 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl halide

Properties

Molecular formula
C6H13BrO
Molar mass
181.07 g/mol
Exact mass
180.0150 Da
Density
1.3838 g/mL (at 24 °C)
Boiling point
105–106 °C (at 5 Torr)
logP
1.93Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
4286-55-9
SMILES
OCCCCCCBr
InChIKey
FCMCSZXRVWDVAW-UHFFFAOYSA-N
InChI
InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2

Weigh it out

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

Names and synonyms

6 names
  • 1-Hexanol, 6-bromo-
  • 1-Bromo-6-hydroxyhexane
  • 6-Hydroxyhexyl bromide
  • 6-Bromohexyl alcohol
  • ω-Bromo-1-hexanol
  • 1-Bromo-6-hexanol

Work with 6-Bromo-1-hexanol

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

7-Bromo-1-heptanol10160-24-4100 % similar 13-Bromo-1-tridecanol116754-58-6100 % similar 11-Bromo-1-undecanol1611-56-9100 % similar 12-Bromo-1-dodecanol3344-77-2100 % similar 5-Bromo-1-pentanol34626-51-2100 % similar 8-Bromo-1-octanol50816-19-8100 % similar 10-Bromo-1-decanol53463-68-6100 % similar 9-Bromononanol55362-80-6100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook