chempirical

8-Bromo-1-octanol

C8H17BrOCAS 50816-19-8209.13 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl halide

Properties

Molecular formula
C8H17BrO
Molar mass
209.13 g/mol
Exact mass
208.0463 Da
Density
1.1246 g/mL (at 25 °C)
Boiling point
126–128 °C (at 3.999 Torr)
logP
2.71Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
50816-19-8
SMILES
OCCCCCCCCBr
InChIKey
GMXIEASXPUEOTG-UHFFFAOYSA-N
InChI
InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2

Weigh it out

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

Names and synonyms

3 names
  • 1-Octanol, 8-bromo-
  • 8-Bromooctanol
  • 8-Hydroxy-1-bromooctane

Work with 8-Bromo-1-octanol

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 6-Bromo-1-hexanol4286-55-9100 % 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