Found 1 result

Search term: NEPLKJAINOWIJL-JFSTXAPLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4aS,4bR,11aR,13aR)-1,1,4a,11a-Tetramethyl-4,4a,4b,5,11a,12,13,13a-octahydro-1H-benzo[e]indolo[1,2-a]indol-2(3H)-one | C23H29NO

(4aS,4bR,11aR,13aR)-1,1,4a,11a-Tetramethyl-4,4a,4b,5,11a,12,13,13a-octahydro-1H-benzo[e]indolo[1,2-a]indol-2(3H)-one

  • Molecular FormulaC23H29NO
  • Average mass335.483 Da
  • Monoisotopic mass335.224915 Da
  • ChemSpider ID24663646

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,4bR,11aR,13aR)-1,1,4a,11a-Tetramethyl-4,4a,4b,5,11a,12,13,13a-octahydro-1H-benzo[e]indolo[1,2-a]indol-2(3H)-on [German] [ACD/IUPAC Name]
(4aS,4bR,11aR,13aR)-1,1,4a,11a-Tetramethyl-4,4a,4b,5,11a,12,13,13a-octahydro-1H-benzo[e]indolo[1,2-a]indol-2(3H)-one [ACD/IUPAC Name]
(4aS,4bR,11aR,13aR)-1,1,4a,11a-Tétraméthyl-4,4a,4b,5,11a,12,13,13a-octahydro-1H-benzo[e]indolo[1,2-a]indol-2(3H)-one [French] [ACD/IUPAC Name]
1H-Benz[e]indolo[1,2-a]indol-2(3H)-one, 4,4a,4b,5,11a,12,13,13a-octahydro-1,1,4a,11a-tetramethyl-, (4aS,4bR,11aR,13aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 241.1±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8120.92
ACD/KOC (pH 5.5): 21881.95
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8120.92
ACD/KOC (pH 7.4): 21881.95
Polar Surface Area: 22 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 280.9±7.0 cm3

Click to predict properties on the Chemicalize site


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