chempirical

Farnesyl acetate

C17H28O2CAS 29548-30-9264.41 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C17H28O2
Molar mass
264.41 g/mol
Exact mass
264.2089 Da
Density
0.9247 g/mL (at 20 °C)
Melting point
63–64 °C (sublimes)
Boiling point
105–107 °C (at 2 Torr)
logP
4.97Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
29548-30-9
SMILES
CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
InChIKey
ZGIGZINMAOQWLX-UHFFFAOYSA-N
InChI
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3

Weigh it out

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

Names and synonyms

6 names
  • 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-acetate
  • 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate
  • 1-Acetoxy-3,7,11-trimethyl-2,6,10-dodecatriene
  • Farnesol acetate
  • 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate
  • NSC 132958

Work with Farnesyl acetate

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

Geranyl acetate105-87-397 % similar Neryl acetate141-12-897 % similar 3,7-Dimethyl-2,6-octadienyl acetate16409-44-297 % similar Geranyl acetate8022-83-197 % similar trans-3,7-Dimethyl-2,6-octadienyl 5,9,13-trimethyl-4,8,12-tetradecatrienoate51-77-471 % similar Prenyl acetate1191-16-865 % similar Geranyl propionate105-90-863 % similar Geranyl butyrate106-29-662 % similar

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

Same formula

Np-4026027-38-3 Cedryl acetate77-54-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook