ChemSpider 2D Image | 5-[(2E)-2-[(1Z)-1-(5-hydroxy-1,5-dimethyl-hexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol | C27H42O3

5-[(2E)-2-[(1Z)-1-(5-hydroxy-1,5-dimethyl-hexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID22378456

  • Double-bond stereo - Double-bond stereo

More details:

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 246.3±24.7 °C
Index of Refraction: 1.559
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22014.85
ACD/KOC (pH 5.5): 44678.82
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22014.85
ACD/KOC (pH 7.4): 44678.82
Polar Surface Area: 61 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

Click to predict properties on the Chemicalize site


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