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ChemSpider 2D Image | SPEROIDENONE | C41H70O2

SPEROIDENONE

  • Molecular FormulaC41H70O2
  • Average mass594.993 Da
  • Monoisotopic mass594.537598 Da
  • ChemSpider ID26328968
  • 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

(4E,8E,12E,12'E)-1-Methoxy-4,5-didehydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadecahydro-ψ,ψ-caroten-2-one [ACD/IUPAC Name]
(4E,8E,12E,12'E)-1-Méthoxy-4,5-didéhydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadécahydro-ψ,ψ-carotén-2-one [French] [ACD/IUPAC Name]
(4E,8E,12E,12'E)-1-Methoxy-4,5-didehydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadecahydro-ψ,ψ-carotin-2-on [German] [ACD/IUPAC Name]
SPEROIDENONE
ψ,ψ-Caroten-2-one, 4,5-didehydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadecahydro-1-methoxy-, (4E,8E,12E,12'E)- [ACD/Index Name]
SPN

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

Density: 0.9±0.1 g/cm3
Boiling Point: 648.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 169.5±21.7 °C
Index of Refraction: 1.488
Molar Refractivity: 193.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 15.45
ACD/LogD (pH 5.5): 13.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 669.7±3.0 cm3

Click to predict properties on the Chemicalize site






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