chempirical

Geranyl chloride

C10H17ClCAS 5389-87-7172.70 g/mol

Open in Covalent MOL file
Cl
AlkeneAlkyl halide

Properties

Molecular formula
C10H17Cl
Molar mass
172.70 g/mol
Exact mass
172.1019 Da
Density
0.9435 g/mL (at 16 °C)
Boiling point
103 °C (at 14 Torr)
logP
3.92Crippen 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
5389-87-7
SMILES
CC(C)=CCC/C(C)=C/CCl
InChIKey
WLAUCMCTKPXDIY-JXMROGBWSA-N
InChI
InChI=1S/C10H17Cl/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 and density.

Names and synonyms

8 names
  • 2,6-Octadiene, 1-chloro-3,7-dimethyl-, (2E)-
  • 2,6-Octadiene, 1-chloro-3,7-dimethyl-, (E)-
  • (2E)-1-Chloro-3,7-dimethyl-2,6-octadiene
  • trans-1-Chloro-3,7-dimethyl-2,6-octadiene
  • (E)-1-Chloro-3,7-dimethyl-2,6-octadiene
  • (E)-8-Chloro-2,6-dimethyl-2,6-octadiene
  • NSC 177220
  • (2E)-3,7-Dimethylocta-2,6-dien-1-yl chloride

Reactions

Work with Geranyl chloride

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 Geraniol106-24-159 % similar Nerol106-25-259 % similar Thiogeraniol39067-80-659 % similar Geranyl bromide6138-90-559 % similar 1-Chloro-3-methyl-2-butene503-60-658 % similar trans-Farnesol106-28-557 % similar Solanesol13190-97-157 % similar

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

Same formula

10-Chloro-3-decyne18295-64-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook