ChemSpider 2D Image | (3aR,5R,7aS)-N-(Cyclopropylmethyl)-2,2-dimethyl-5-[(2-methylbenzyl)oxy]-7-[(4-methylbenzyl)oxy]hexahydro-1,3-benzodioxole-5-carboxamide | C30H39NO5

(3aR,5R,7aS)-N-(Cyclopropylmethyl)-2,2-dimethyl-5-[(2-methylbenzyl)oxy]-7-[(4-methylbenzyl)oxy]hexahydro-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC30H39NO5
  • Average mass493.634 Da
  • Monoisotopic mass493.282837 Da
  • ChemSpider ID29257844

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aR,5R,7aS)-N-(Cyclopropylmethyl)-2,2-dimethyl-5-[(2-methylbenzyl)oxy]-7-[(4-methylbenzyl)oxy]hexahydro-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
(3aR,5R,7aS)-N-(Cyclopropylmethyl)-2,2-dimethyl-5-[(2-methylbenzyl)oxy]-7-[(4-methylbenzyl)oxy]hexahydro-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
(3aR,5R,7aS)-N-(Cyclopropylméthyl)-2,2-diméthyl-5-[(2-méthylbenzyl)oxy]-7-[(4-méthylbenzyl)oxy]hexahydro-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxamide, N-(cyclopropylmethyl)hexahydro-2,2-dimethyl-5-[(2-methylphenyl)methoxy]-7-[(4-methylphenyl)methoxy]-, (3aR,5R,7aS)- [ACD/Index 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: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10333.95
ACD/KOC (pH 5.5): 26001.68
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10333.96
ACD/KOC (pH 7.4): 26001.71
Polar Surface Area: 66 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 417.2±5.0 cm3

Click to predict properties on the Chemicalize site


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