ChemSpider 2D Image | (6R,6'R)-4,4'-{[(4R,6S)-2,2-Dimethyl-1,3-dioxane-4,6-diyl]bis(methylene)}bis[6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile] (non-preferred name) | C24H36Cl2N2O6

(6R,6'R)-4,4'-{[(4R,6S)-2,2-Dimethyl-1,3-dioxane-4,6-diyl]bis(methylene)}bis[6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile] (non-preferred name)

  • Molecular FormulaC24H36Cl2N2O6
  • Average mass519.458 Da
  • Monoisotopic mass518.195068 Da
  • ChemSpider ID28494592

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6R,6'R)-4,4'-{[(4R,6S)-2,2-Dimethyl-1,3-dioxan-4,6-diyl]dimethylen}bis[6-(chlormethyl)-2,2-dimethyl-1,3-dioxan-4-carbonitril] (non-preferred name) [German] [ACD/IUPAC Name]
(6R,6'R)-4,4'-{[(4R,6S)-2,2-Dimethyl-1,3-dioxane-4,6-diyl]bis(methylene)}bis[6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile] (non-preferred name) [ACD/IUPAC Name]
(6R,6'R)-4,4'-{[(4R,6S)-2,2-Diméthyl-1,3-dioxane-4,6-diyl]diméthylène}bis[6-(chlorométhyl)-2,2-diméthyl-1,3-dioxane-4-carbonitrile] (non-preferred name) [French] [ACD/IUPAC Name]
(4R,6R,4'R,6'R)-4,4'-{[(4R,6S)-2,2-Dimethyl-1,3-dioxan-4,6-diyl]dimethylen}bis[6-(chlormethyl)-2,2-dimethyl-1,3-dioxan-4-carbonitril] (non-preferred name) [German] [ACD/IUPAC Name]
(4R,6R,4'R,6'R)-4,4'-{[(4R,6S)-2,2-Dimethyl-1,3-dioxane-4,6-diyl]bis(methylene)}bis[6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-carbonitrile] (non-preferred name) [ACD/IUPAC Name]
(4R,6R,4'R,6'R)-4,4'-{[(4R,6S)-2,2-Diméthyl-1,3-dioxane-4,6-diyl]diméthylène}bis[6-(chlorométhyl)-2,2-diméthyl-1,3-dioxane-4-carbonitrile] (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: 622.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±31.5 °C
Index of Refraction: 1.522
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 65.95
ACD/KOC (pH 5.5): 697.95
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 65.95
ACD/KOC (pH 7.4): 697.95
Polar Surface Area: 103 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement