ChemSpider 2D Image | (3aR,6S,7aR)-2,2-Dimethyl-4'-(4-methylphenyl)dihydro-5'H-spiro[1,3-dioxolo[4,5-c]pyran-6,2'-[1,4]oxazinane]-5',7(4H)-dione | C18H21NO6

(3aR,6S,7aR)-2,2-Dimethyl-4'-(4-methylphenyl)dihydro-5'H-spiro[1,3-dioxolo[4,5-c]pyran-6,2'-[1,4]oxazinane]-5',7(4H)-dione

  • Molecular FormulaC18H21NO6
  • Average mass347.362 Da
  • Monoisotopic mass347.136902 Da
  • ChemSpider ID30658811

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,6S,7aR)-2,2-Dimethyl-4'-(4-methylphenyl)dihydro-5'H-spiro[1,3-dioxolo[4,5-c]pyran-6,2'-[1,4]oxazinane]-5',7(4H)-dione [ACD/IUPAC Name]
Spiro[6H-1,3-dioxolo[4,5-c]pyran-6,2'-morpholine]-5',7(4H)-dione, dihydro-2,2-dimethyl-4'-(4-methylphenyl)-, (3aR,6S,7aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.5±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.37
ACD/KOC (pH 5.5): 935.94
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.37
ACD/KOC (pH 7.4): 935.96
Polar Surface Area: 74 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 256.8±5.0 cm3

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