6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one

C₁₈H₃₀OCAS 762-29-8262.44 g/mol

Properties

Molecular formula: C₁₈H₃₀O
Molar mass: 262.44 g/mol
Exact mass: 262.2297 Da
Density: 0.8835 g/mL (at 20 °C)
Melting point: 80.5–81.5 °C
Boiling point: 120–121 °C (at 0.45 Torr)
logP: 5.77Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 9

Hazards

Not classified as hazardous under GHS by 90 ECHA notifiers. Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

762-29-8

SMILES

CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C

InChIKey

LTUMRKDLVGQMJU-UHFFFAOYSA-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

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Names and synonyms

2 names

5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
Farnesalacetone

Work with 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one

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.

Farnesylacetone1117-52-8

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

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