chempirical

Farnesylacetone

C18H30OCAS 1117-52-8262.44 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C18H30O
Molar mass
262.44 g/mol
Exact mass
262.2297 Da
Density
0.89 g/mL (at 20 °C)
Boiling point
147–148 °C (at 0.5 Torr)
logP
5.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
9

Hazards

Not classified as hazardous under GHS by 92 ECHA notifiers. Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1117-52-8
SMILES
CC(=O)CC/C=C(C)CC/C=C(C)CCC=C(C)C
InChIKey
LTUMRKDLVGQMJU-IUBLYSDUSA-N
InChI
InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+

Weigh it out

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

Names and synonyms

11 names
  • 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-
  • 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
  • (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one
  • E,E-Farnesylacetone
  • Trans,trans-Farnesylacetone
  • (E,E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one
  • (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatriene-2-one
  • Farnesylacetone A
  • (5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
  • (5E,9E)-Farnesylacetone
  • Farnesyl acetone

Work with Farnesylacetone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one762-29-8

Similar compounds

Geranylacetone3796-70-1100 % similar Teprenone6809-52-5100 % similar 6,10-Dimethyl-5,9-undecadien-2-one689-67-8100 % similar Sulcatone110-93-080 % similar Squalene111-02-469 % similar Squalene7683-64-969 % similar Farnesol106-28-558 % similar Solanesol13190-97-158 % similar

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

Same formula

2,4,6-Tri-tert-butylphenol732-26-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook