ChemSpider 2D Image | (1Z,3E,1'E,3'E)-3,3'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(1-phenyl-1-buten-1-ol) | C26H30N2O2

(1Z,3E,1'E,3'E)-3,3'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(1-phenyl-1-buten-1-ol)

  • Molecular FormulaC26H30N2O2
  • Average mass402.529 Da
  • Monoisotopic mass402.230713 Da
  • ChemSpider ID30655488

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1Z,3E,1'E,3'E)-3,3'-[(1S,2S)-1,2-Cyclohexandiyldinitrilo]bis(1-phenyl-1-buten-1-ol) [German] [ACD/IUPAC Name]
(1Z,3E,1'E,3'E)-3,3'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(1-phenyl-1-buten-1-ol) [ACD/IUPAC Name]
(1Z,3E,1'E,3'E)-3,3'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(1-phényl-1-butén-1-ol) [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(2E)-2-[[(1S,2S)-2-[[(1E,2E)-3-hydroxy-1-methyl-3-phenyl-2-propen-1-ylidene]amino]cyclohexyl]imino]propylidene]-, (αZ)- [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: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 385.0±19.4 °C
Index of Refraction: 1.579
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 6.20
ACD/KOC (pH 5.5): 21.45
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 38.34
ACD/KOC (pH 7.4): 132.63
Polar Surface Area: 65 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 367.6±7.0 cm3

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