ChemSpider 2D Image | Kolanone | C33H42O4

Kolanone

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID30791168

  • 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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 363.8±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: 10.28
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 26797.42
ACD/KOC (pH 5.5): 19569.20
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 598.36
ACD/KOC (pH 7.4): 436.96
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

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