ChemSpider 2D Image | 2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3,5-dihydroxy-4,6-bis(3-methyl-2-butenyl)- | C33H42O4

2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3,5-dihydroxy-4,6-bis(3-methyl-2-butenyl)-

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID20144113

  • Double-bond stereo - Double-bond stereo

More details:

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

2,5-Cyclohexadien-1-one, 2-benzoyl-4-(3,7-dimethyl-2,6-octadienyl)-3,5-dihydroxy-4,6-bis(3-methyl-2-butenyl)-
2,5-Cyclohexadien-1-one, 2-benzoyl-4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-4,6-bis(3-methyl-2-buten-1-yl)- [ACD/Index Name]
2-Benzoyl-4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
2-Benzoyl-4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,5-dihydroxy-4,6-bis(3-methyl-2-buten-1-yl)-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
2-Benzoyl-4-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-3,5-dihydroxy-4,6-bis(3-méthyl-2-butén-1-yl)-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
81827-55-6 [RN]
Kolanone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 343.0±28.0 °C
Index of Refraction: 1.563
Molar Refractivity: 152.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 11.31
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 91450.77
ACD/KOC (pH 5.5): 51671.00
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 1643.14
ACD/KOC (pH 7.4): 928.40
Polar Surface Area: 75 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 468.4±3.0 cm3

Click to predict properties on the Chemicalize site


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