ChemSpider 2D Image | alpha-Echinenone | C40H54O

α-Echinenone

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID17220900
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6'R)-4',5'-Didehydro-5',6'-dihydro-β,β-caroten-4-one [ACD/IUPAC Name]
(6'R)-4',5'-Didéhydro-5',6'-dihydro-β,β-carotén-4-one [French] [ACD/IUPAC Name]
(6'R)-4',5'-Didehydro-5',6'-dihydro-β,β-carotin-4-on [German] [ACD/IUPAC Name]
α-Echinenone
β,β-Caroten-4-one, 4',5'-didehydro-5',6'-dihydro-, (6'R)- [ACD/Index Name]
3297-23-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 675.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 366.9±19.6 °C
Index of Refraction: 1.568
Molar Refractivity: 186.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.04
ACD/LogD (pH 5.5): 11.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 17 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 568.6±3.0 cm3

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