ChemSpider 2D Image | (2Z,6E)-2,6-Bis(2,3-dimethoxybenzylidene)-4-(2-methyl-2-propanyl)cyclohexanone | C28H34O5

(2Z,6E)-2,6-Bis(2,3-dimethoxybenzylidene)-4-(2-methyl-2-propanyl)cyclohexanone

  • Molecular FormulaC28H34O5
  • Average mass450.567 Da
  • Monoisotopic mass450.240631 Da
  • ChemSpider ID22947384

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,6E)-2,6-Bis(2,3-dimethoxybenzyliden)-4-(2-methyl-2-propanyl)cyclohexanon [German] [ACD/IUPAC Name]
(2Z,6E)-2,6-Bis(2,3-dimethoxybenzylidene)-4-(2-methyl-2-propanyl)cyclohexanone [ACD/IUPAC Name]
(2Z,6E)-2,6-Bis(2,3-diméthoxybenzylidène)-4-(2-méthyl-2-propanyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2,6-bis[(2,3-dimethoxyphenyl)methylene]-4-(1,1-dimethylethyl)-, (2Z,6E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 251.1±30.2 °C
Index of Refraction: 1.583
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22713.40
ACD/KOC (pH 5.5): 45689.08
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22713.40
ACD/KOC (pH 7.4): 45689.08
Polar Surface Area: 54 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 400.8±3.0 cm3

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