chempirical

Geranyl bromide

C10H17BrCAS 6138-90-5217.15 g/mol

Open in Covalent MOL file
Br
AlkeneAlkyl halide

Properties

Molecular formula
C10H17Br
Molar mass
217.15 g/mol
Exact mass
216.0514 Da
Boiling point
45–46 °C (at 0.05 Torr)
logP
4.07Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
6138-90-5
SMILES
CC(C)=CCC/C(C)=C/CBr
InChIKey
JSCUZAYKVZXKQE-JXMROGBWSA-N
InChI
InChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+

Weigh it out

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

Names and synonyms

8 names
  • 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-
  • 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (E)-
  • (2E)-1-Bromo-3,7-dimethyl-2,6-octadiene
  • trans-Geranyl bromide
  • (2E)-Geranyl bromide
  • (E)-1-Bromo-3,7-dimethyl-2,6-octadiene
  • (2E)-1-Bromo-3,7-dimethylocta-2,6-diene
  • (E)-1-Bromo-3,7-dimethylocta-2,6-diene

Work with Geranyl bromide

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

Squalene111-02-468 % similar Thiogeraniol39067-80-664 % similar Geraniol106-24-159 % similar Nerol106-25-259 % similar Prenyl bromide870-63-358 % similar trans-Farnesol106-28-557 % similar Solanesol13190-97-157 % similar Geranylgeraniol24034-73-957 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook