ChemSpider 2D Image | (3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-{(E)-[(2E)-2-benzylideneoctylidene]amino}benzoate | C32H41NO2

(3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-{(E)-[(2E)-2-benzylideneoctylidene]amino}benzoate

  • Molecular FormulaC32H41NO2
  • Average mass471.673 Da
  • Monoisotopic mass471.313721 Da
  • ChemSpider ID62600174

  • 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

(3S)-3,7-Dimethyl-1,6-octadien-3-yl 2-{(E)-[(2E)-2-benzylideneoctylidene]amino}benzoate [ACD/IUPAC Name]
(3S)-3,7-Dimethyl-1,6-octadien-3-yl-2-{(E)-[(2E)-2-benzylidenoctyliden]amino}benzoat [German] [ACD/IUPAC Name]
2-{(E)-[(2E)-2-Benzylidèneoctylidène]amino}benzoate de (3S)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(1E,2E)-2-(phenylmethylene)octylidene]amino]-, (1S)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 168.8±24.6 °C
Index of Refraction: 1.512
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 12.59
ACD/LogD (pH 5.5): 10.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 39 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 33.5±7.0 dyne/cm
Molar Volume: 499.7±7.0 cm3

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