ChemSpider 2D Image | (2R,6E)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-hydroxy-6-[hydroxy(phenyl)methylene]-2,4-bis(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione | C33H42O4

(2R,6E)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-hydroxy-6-[hydroxy(phenyl)methylene]-2,4-bis(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID10128239
  • 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

(2R,6E)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-hydroxy-6-[hydroxy(phenyl)methylen]-2,4-bis(3-methyl-2-buten-1-yl)-4-cyclohexen-1,3-dion [German] [ACD/IUPAC Name]
(2R,6E)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-hydroxy-6-[hydroxy(phenyl)methylene]-2,4-bis(3-methyl-2-buten-1-yl)-4-cyclohexene-1,3-dione [ACD/IUPAC Name]
(2R,6E)-2-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-5-hydroxy-6-[hydroxy(phényl)méthylène]-2,4-bis(3-méthyl-2-butén-1-yl)-4-cyclohexène-1,3-dione [French] [ACD/IUPAC Name]
4-Cyclohexene-1,3-dione, 2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-5-hydroxy-6-(hydroxyphenylmethylene)-2,4-bis(3-methyl-2-buten-1-yl)-, (2R,6E)- [ACD/Index Name]
2,5-CYCLOHEXADIEN-1-ONE,2-BENZOYL-4-(3,7-DIMETHYL-2,6-OCTADIENYL)-3-H YDROXY-4,6-BIS(3-METHYL-2-BUTENYL)-
81827-55-6 [RN]
Kolanone

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

C09948 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 319.5±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 152.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.79
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 94239.13
ACD/KOC (pH 5.5): 51363.74
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 1884.35
ACD/KOC (pH 7.4): 1027.04
Polar Surface Area: 75 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 470.3±3.0 cm3

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