ChemSpider 2D Image | (1R,2S,3R,6R)-3,6-Bis(benzyloxy)-4-cyclohexene-1,2-diyl dibenzoate | C34H30O6

(1R,2S,3R,6R)-3,6-Bis(benzyloxy)-4-cyclohexene-1,2-diyl dibenzoate

  • Molecular FormulaC34H30O6
  • Average mass534.598 Da
  • Monoisotopic mass534.204224 Da
  • ChemSpider ID9278600

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3R,6R)-3,6-Bis(benzyloxy)-4-cyclohexen-1,2-diyl-dibenzoat [German] [ACD/IUPAC Name]
(1R,2S,3R,6R)-3,6-Bis(benzyloxy)-4-cyclohexene-1,2-diyl dibenzoate [ACD/IUPAC Name]
4-Cyclohexene-1,2-diol, 3,6-bis(phenylmethoxy)-, dibenzoate, (1R,2S,3R,6R)- [ACD/Index Name]
Dibenzoate de (1R,2S,3R,6R)-3,6-bis(benzyloxy)-4-cyclohexène-1,2-diyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 274.7±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 207713.33
ACD/KOC (pH 5.5): 222749.61
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 207713.33
ACD/KOC (pH 7.4): 222749.61
Polar Surface Area: 71 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 425.5±5.0 cm3

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