ChemSpider 2D Image | 3-[(2E,6E,9R)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-quinolinone | C25H33NO2

3-[(2E,6E,9R)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-quinolinone

  • Molecular FormulaC25H33NO2
  • Average mass379.535 Da
  • Monoisotopic mass379.251129 Da
  • ChemSpider ID35035708

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2E,6E,9R)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[(2E,6E,9R)-9-Hydroxy-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-2-méthyl-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[(2E,6E,9R)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl-4(1H)-quinolinone [ACD/IUPAC Name]
3-[(2e,6e,9r)-9-Hydroxy-3,7,11-Trimethyldodeca-2,6,10-Trien-1-Yl]-2-Methylquinolin-4(1h)-One
4(1H)-Quinolinone, 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2-methyl- [ACD/Index Name]
AUI

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

Density: 1.0±0.1 g/cm3
Boiling Point: 544.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 283.1±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 121393.41
ACD/KOC (pH 5.5): 151631.52
ACD/LogD (pH 7.4): 6.99
ACD/BCF (pH 7.4): 121447.14
ACD/KOC (pH 7.4): 151698.63
Polar Surface Area: 49 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 368.4±3.0 cm3

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