ChemSpider 2D Image | 2-(Dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.1~3,7~]decan]-4-yl)-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone | C28H45N3O5

2-(Dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.13,7]decan]-4-yl)-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID30832003

More details:






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

2-(Dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.13,7]decan]-4-yl)-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
Ethanone, 2-dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.13,7]decan]-4-yl-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 621.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 8.13
ACD/KOC (pH 7.4): 78.44
Polar Surface Area: 64 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 399.7±5.0 cm3

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