ChemSpider 2D Image | (2S,6R)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonanoic acid | C23H36O4

(2S,6R)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonanoic acid

  • Molecular FormulaC23H36O4
  • Average mass376.530 Da
  • Monoisotopic mass376.261353 Da
  • ChemSpider ID103885080

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,6R)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonanoic acid [ACD/IUPAC Name]
(2S,6R)-9-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylnonansäure [German] [ACD/IUPAC Name]
1215088-64-4 [RN]
2H-1-Benzopyran-2-nonanoic acid, 3,4-dihydro-6-hydroxy-α,ε,2,7,8-pentamethyl-, (αS,εR,2R)- [ACD/Index Name]
Acide (2S,6R)-9-[(2R)-6-hydroxy-2,7,8-triméthyl-3,4-dihydro-2H-chromén-2-yl]-2,6-diméthylnonanoïque [French] [ACD/IUPAC 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: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 178.2±23.6 °C
Index of Refraction: 1.519
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 6673.01
ACD/KOC (pH 5.5): 11484.83
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 107.77
ACD/KOC (pH 7.4): 185.48
Polar Surface Area: 67 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 358.2±3.0 cm3

Click to predict properties on the Chemicalize site


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