ChemSpider 2D Image | (3S)-1-[2,5-Bis(2-methyl-2-propanyl)phenyl]-3-methyl-3,4-dihydro-2(1H)-quinolinone | C24H31NO

(3S)-1-[2,5-Bis(2-methyl-2-propanyl)phenyl]-3-methyl-3,4-dihydro-2(1H)-quinolinone

  • Molecular FormulaC24H31NO
  • Average mass349.509 Da
  • Monoisotopic mass349.240570 Da
  • ChemSpider ID30659944

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[2,5-Bis(2-methyl-2-propanyl)phenyl]-3-methyl-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
(3S)-1-[2,5-Bis(2-méthyl-2-propanyl)phényl]-3-méthyl-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
(3S)-1-[2,5-Bis(2-methyl-2-propanyl)phenyl]-3-methyl-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
2(1H)-Quinolinone, 1-[2,5-bis(1,1-dimethylethyl)phenyl]-3,4-dihydro-3-methyl-, (3S)- [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: 519.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 234.4±21.3 °C
Index of Refraction: 1.546
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36915.66
ACD/KOC (pH 5.5): 64683.41
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36915.66
ACD/KOC (pH 7.4): 64683.41
Polar Surface Area: 20 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 341.4±3.0 cm3

Click to predict properties on the Chemicalize site


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