ChemSpider 2D Image | (9S)-9-Isobutyl-3-pentyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione | C24H45N3O3

(9S)-9-Isobutyl-3-pentyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione

  • Molecular FormulaC24H45N3O3
  • Average mass423.632 Da
  • Monoisotopic mass423.346100 Da
  • ChemSpider ID77211923

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-9-Isobutyl-3-pentyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecan-7,10-dion [German] [ACD/IUPAC Name]
(9S)-9-Isobutyl-3-pentyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione [ACD/IUPAC Name]
(9S)-9-Isobutyl-3-pentyl-15-oxa-3,8,11-triazaspiro[5.13]nonadécane-7,10-dione [French] [ACD/IUPAC Name]
15-Oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione, 9-(2-methylpropyl)-3-pentyl-, (9S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 629.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.5±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 12.39
Polar Surface Area: 71 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 407.6±5.0 cm3

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