ChemSpider 2D Image | (1R)-1-[(4S,4aS,8aR)-2,6-Bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethanediol (non-preferred name) | C24H30O6

(1R)-1-[(4S,4aS,8aR)-2,6-Bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethanediol (non-preferred name)

  • Molecular FormulaC24H30O6
  • Average mass414.491 Da
  • Monoisotopic mass414.204254 Da
  • ChemSpider ID113607186

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R)-1-[(4S,4aS,8aR)-2,6-Bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethandiol (non-preferred name) [German] [ACD/IUPAC Name]
(1R)-1-[(4S,4aS,8aR)-2,6-Bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethanediol (non-preferred name) [ACD/IUPAC Name]
(1R)-1-[(4S,4aS,8aR)-2,6-Bis(3,4-diméthylphényl)tétrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-éthanediol (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.7±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1509.77
ACD/KOC (pH 5.5): 6562.40
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1509.77
ACD/KOC (pH 7.4): 6562.39
Polar Surface Area: 77 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 346.7±3.0 cm3

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