ChemSpider 2D Image | (2Z,4Z,2'E,4'E)-4,4'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(2-penten-2-ol) | C16H26N2O2

(2Z,4Z,2'E,4'E)-4,4'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(2-penten-2-ol)

  • Molecular FormulaC16H26N2O2
  • Average mass278.390 Da
  • Monoisotopic mass278.199432 Da
  • ChemSpider ID30655477

  • 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

(2Z,4Z,2'E,4'E)-4,4'-[(1S,2S)-1,2-Cyclohexandiyldinitrilo]bis(2-penten-2-ol) [German] [ACD/IUPAC Name]
(2Z,4Z,2'E,4'E)-4,4'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(2-penten-2-ol) [ACD/IUPAC Name]
(2Z,4Z,2'E,4'E)-4,4'-[(1S,2S)-1,2-Cyclohexanediyldinitrilo]bis(2-pentén-2-ol) [French] [ACD/IUPAC Name]
2-Penten-2-ol, 4,4'-[(1S,2S)-1,2-cyclohexanediyldinitrilo]bis-, (2Z,4Z,2'E,4'E)- [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: 400.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 256.8±18.0 °C
Index of Refraction: 1.529
Molar Refractivity: 80.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 65 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 35.1±7.0 dyne/cm
Molar Volume: 262.2±7.0 cm3

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