ChemSpider 2D Image | (3R)-4-[2-(1-Cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-2,5-piperazinedione | C27H38N2O4

(3R)-4-[2-(1-Cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-2,5-piperazinedione

  • Molecular FormulaC27H38N2O4
  • Average mass454.602 Da
  • Monoisotopic mass454.283173 Da
  • ChemSpider ID62456299

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4-[2-(1-Cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R)-4-[2-(1-Cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-2,5-piperazinedione [ACD/IUPAC Name]
(3R)-4-[2-(1-Cyclohexén-1-yl)éthyl]-1-cyclohexyl-3-(4-éthoxy-3-méthoxyphényl)-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 4-[2-(1-cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-, (3R)- [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: 642.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2667.31
ACD/KOC (pH 5.5): 9862.32
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2667.31
ACD/KOC (pH 7.4): 9862.32
Polar Surface Area: 59 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 401.7±3.0 cm3

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