ChemSpider 2D Image | Teprenone | C23H38O


  • Molecular FormulaC23H38O
  • Average mass330.547 Da
  • Monoisotopic mass330.292267 Da
  • ChemSpider ID29787024
  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9E,13E)-6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetraen-2-on [German] [ACD/IUPAC Name]
(9E,13E)-6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetraen-2-one [ACD/IUPAC Name]
(9E,13E)-6,10,14,18-Tétraméthyl-5,9,13,17-nonadécatétraén-2-one [French] [ACD/IUPAC Name]
5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18-tetramethyl-, (9E,13E)- [ACD/Index Name]
Selbex [Trade name]
teprenona [Spanish] [INN]
téprénone [French] [INN]
teprenonum [Latin] [INN]
  • Miscellaneous
    • Chemical Class:

      A terpene ketone in which a (9<stereo>E</stereo>,13<stereo>E</stereo>)-geranylgernayl group is bonded to one of the <locant>alpha</locant>-methyls of acetone (it is a mixture of 5<stereo>E</stereo>- a nd 5<stereo>Z</stereo>-geoisomers in a 3:2 ratio). ChEBI CHEBI:31649

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 442.2±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 168.0±9.8 °C
Index of Refraction: 1.483
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.20
ACD/LogD (pH 5.5): 7.40
ACD/BCF (pH 5.5): 248132.06
ACD/KOC (pH 5.5): 252981.39
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 248132.06
ACD/KOC (pH 7.4): 252981.39
Polar Surface Area: 17 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 379.0±3.0 cm3

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