ChemSpider 2D Image | 1,4-Bis(benzyloxy)-2-[(2E,6Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6-nonadien-1-yl]benzene | C40H50O2

1,4-Bis(benzyloxy)-2-[(2E,6Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6-nonadien-1-yl]benzene

  • Molecular FormulaC40H50O2
  • Average mass562.824 Da
  • Monoisotopic mass562.381104 Da
  • ChemSpider ID9585327

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Bis(benzyloxy)-2-[(2E,6Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6-nonadien-1-yl]benzene [ACD/IUPAC Name]
1,4-Bis(benzyloxy)-2-[(2E,6Z)-3,7-diméthyl-9-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,6-nonadién-1-yl]benzène [French] [ACD/IUPAC Name]
1,4-Bis(benzyloxy)-2-[(2E,6Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6-nonadien-1-yl]benzol [German] [ACD/IUPAC Name]
Benzene, 2-[(2E,6Z)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6-nonadien-1-yl]-1,4-bis(phenylmethoxy)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 188.9±31.0 °C
Index of Refraction: 1.555
Molar Refractivity: 178.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 13.93
ACD/LogD (pH 5.5): 12.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 557.2±3.0 cm3

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