ChemSpider 2D Image | (4aR,6aR,7R,10S)-1,4a,6a,10-Tetramethyl-7-[(2R)-6-methyl-2-heptanyl]hexadecahydro-2H-indeno[5,4-f]quinolin-2-one | C28H49NO

(4aR,6aR,7R,10S)-1,4a,6a,10-Tetramethyl-7-[(2R)-6-methyl-2-heptanyl]hexadecahydro-2H-indeno[5,4-f]quinolin-2-one

  • Molecular FormulaC28H49NO
  • Average mass415.695 Da
  • Monoisotopic mass415.381409 Da
  • ChemSpider ID23122807
  • defined stereocentres - 4 of 9 defined stereocentres


More details:






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

(4aR,6aR,7R,10S)-1,4a,6a,10-Tetramethyl-7-[(2R)-6-methyl-2-heptanyl]hexadecahydro-2H-indeno[5,4-f]chinolin-2-on [German] [ACD/IUPAC Name]
(4aR,6aR,7R,10S)-1,4a,6a,10-Tétraméthyl-7-[(2R)-6-méthyl-2-heptanyl]hexadécahydro-2H-indéno[5,4-f]quinoléin-2-one [French] [ACD/IUPAC Name]
(4aR,6aR,7R,10S)-1,4a,6a,10-Tetramethyl-7-[(2R)-6-methyl-2-heptanyl]hexadecahydro-2H-indeno[5,4-f]quinolin-2-one [ACD/IUPAC Name]
2H-Indeno[5,4-f]quinolin-2-one, 7-[(1R)-1,5-dimethylhexyl]hexadecahydro-1,4a,6a,10-tetramethyl-, (4aR,6aR,7R,10S)- [ACD/Index Name]
(4aR,6aR,7R,10S)-7-(1,5-Dimethyl-hexyl)-1,4a,6a,10-tetramethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one

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

MK-386 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 505.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 203.9±12.1 °C
Index of Refraction: 1.495
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.54
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 486450.25
ACD/KOC (pH 5.5): 409594.22
ACD/LogD (pH 7.4): 7.79
ACD/BCF (pH 7.4): 486450.78
ACD/KOC (pH 7.4): 409594.66
Polar Surface Area: 20 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 436.7±3.0 cm3

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