ChemSpider 2D Image | (1R,2S,6R,7S)-4-(2-Ethylhexyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C17H25NO2

(1R,2S,6R,7S)-4-(2-Ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC17H25NO2
  • Average mass275.386 Da
  • Monoisotopic mass275.188538 Da
  • ChemSpider ID52083570

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,2S,6R,7S)-4-(2-Ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(1R,2S,6R,7S)-4-(2-Ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
(1R,2S,6R,7S)-4-(2-Éthylhexyl)-4-azatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
113-48-4 [RN]
204-029-1 [EINECS]
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-, (3aR,4S,7R,7aS)- [ACD/Index Name]
ETHYLHEXYLBICYCLOHEPTENE DICARBOXIMIDE
N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide

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

1B9RV7L76C [DBID]
UNII:1B9RV7L76C [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 406.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 168.4±21.1 °C
Index of Refraction: 1.528
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 358.28
ACD/KOC (pH 5.5): 2343.79
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 358.28
ACD/KOC (pH 7.4): 2343.79
Polar Surface Area: 37 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 253.8±3.0 cm3

Click to predict properties on the Chemicalize site


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