ChemSpider 2D Image | 8-(3,5-Dimethoxybenzyl)-3-isobutyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | C25H39N3O4

8-(3,5-Dimethoxybenzyl)-3-isobutyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC25H39N3O4
  • Average mass445.595 Da
  • Monoisotopic mass445.294067 Da
  • ChemSpider ID22125883

More details:

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

1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-[(3,5-dimethoxyphenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)- [ACD/Index Name]
8-(3,5-Dimethoxybenzyl)-3-isobutyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
8-(3,5-Dimethoxybenzyl)-3-isobutyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
8-(3,5-Diméthoxybenzyl)-3-isobutyl-1-(3-méthylbutyl)-1,3,8-triazaspiro[4.5]décane-2,4-dione [French] [ACD/IUPAC 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: 540.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 280.9±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 95.54
ACD/KOC (pH 7.4): 525.71
Polar Surface Area: 62 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

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