ChemSpider 2D Image | (4aS,4bR,10aR,10bS,12aS)-1-Allyl-10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-8(2H)-one | C22H33NO

(4aS,4bR,10aR,10bS,12aS)-1-Allyl-10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-8(2H)-one

  • Molecular FormulaC22H33NO
  • Average mass327.504 Da
  • Monoisotopic mass327.256226 Da
  • ChemSpider ID24731859

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aS,4bR,10aR,10bS,12aS)-1-Allyl-10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]chinolin-8(2H)-on [German] [ACD/IUPAC Name]
(4aS,4bR,10aR,10bS,12aS)-1-Allyl-10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-8(2H)-one [ACD/IUPAC Name]
(4aS,4bR,10aR,10bS,12aS)-1-Allyl-10a,12a-diméthyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tétradécahydronaphto[2,1-f]quinoléin-8(2H)-one [French] [ACD/IUPAC Name]
Naphtho[2,1-f]quinolin-8(2H)-one, 1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydro-10a,12a-dimethyl-1-(2-propen-1-yl)-, (4aS,4bR,10aR,10bS,12aS)- [ACD/Index 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: 439.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 152.5±18.1 °C
Index of Refraction: 1.554
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 8.24
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 27.98
ACD/KOC (pH 7.4): 108.49
Polar Surface Area: 20 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 309.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement