chempirical

β-Farnesene

C15H24CAS 18794-84-8204.36 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C15H24
Molar mass
204.36 g/mol
Exact mass
204.1878 Da
Density
0.8399 g/mL (at 19 °C)
Melting point
below 25 °C
Boiling point
80–82 °C (at 0.5 Torr)
logP
5.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
18794-84-8
SMILES
C=CC(=C)CC/C=C(C)CCC=C(C)C
InChIKey
JSNRRGGBADWTMC-NTCAYCPXSA-N
InChI
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+

Weigh it out

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

Names and synonyms

7 names
  • 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-
  • 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-
  • (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
  • (E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
  • trans-β-Farnesene
  • (E)-β-Farnesene
  • Biofene

Work with β-Farnesene

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

Myrcene123-35-382 % similar Squalene111-02-462 % similar trans-Farnesol106-28-553 % similar Solanesol13190-97-153 % similar Geranylgeraniol24034-73-953 % similar Farnesol4602-84-053 % similar Farnesylacetone1117-52-851 % similar Geranylacetone3796-70-151 % similar

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

Same formula

n-Nonylbenzene1081-77-2 (-)-Isolongifolene1135-66-6 3,5-Di-tert-butyltoluene15181-11-0 (-)-Cedrene469-61-4 Longifolene475-20-7 γ-Bisabolene495-62-5 (-)-β-Elemene515-13-9 Humulene6753-98-6

Elsewhere

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