ChemSpider 2D Image | (4aR)-4,8a-Dimethyl-6-[(2E)-6-methyl-4-oxo-2,5-heptadien-2-yl]-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone | C20H28O2

(4aR)-4,8a-Dimethyl-6-[(2E)-6-methyl-4-oxo-2,5-heptadien-2-yl]-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID24846823

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(4aR)-4,8a-Diméthyl-6-[(2E)-6-méthyl-4-oxo-2,5-heptadién-2-yl]-4a,5,6,7,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4aR)-4,8a-Dimethyl-6-[(2E)-6-methyl-4-oxo-2,5-heptadien-2-yl]-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4aR)-4,8a-Dimethyl-6-[(2E)-6-methyl-4-oxo-2,5-heptadien-2-yl]-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 6-[(1E)-1,5-dimethyl-3-oxo-1,4-hexadien-1-yl]-4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-, (4aR)- [ACD/Index Name]
Dysokusone D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 429.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 160.5±25.7 °C
Index of Refraction: 1.516
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2299.90
ACD/KOC (pH 5.5): 8869.66
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2299.90
ACD/KOC (pH 7.4): 8869.66
Polar Surface Area: 34 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


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