ChemSpider 2D Image | (3aR,4R,5R,6S,7R,7aS)-4,5-Bis(allyloxy)-6,7-bis(benzyloxy)hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane] | C32H40O6

(3aR,4R,5R,6S,7R,7aS)-4,5-Bis(allyloxy)-6,7-bis(benzyloxy)hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID9235545

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aR,4R,5R,6S,7R,7aS)-4,5-Bis(allyloxy)-6,7-bis(benzyloxy)hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane] [ACD/IUPAC Name]
(3aR,4R,5R,6S,7R,7aS)-4,5-Bis(allyloxy)-6,7-bis(benzyloxy)hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane] [German] [ACD/IUPAC Name]
(3aR,4R,5R,6S,7R,7aS)-4,5-Bis(allyloxy)-6,7-bis(benzyloxy)hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane] [French] [ACD/IUPAC Name]
Spiro[1,3-benzodioxole-2,1'-cyclohexane], hexahydro-4,5-bis(phenylmethoxy)-6,7-bis(2-propen-1-yloxy)-, (3aS,4R,5S,6R,7R,7aR)- [ACD/Index Name]
(3aR,4R,5R,6S,7R,7aS)-6,7-bis(benzyloxy)-4,5-bis(prop-2-en-1-yloxy)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]
140148-50-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 620.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 236.0±31.4 °C
Index of Refraction: 1.572
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.12
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 385994.19
ACD/KOC (pH 5.5): 347094.09
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 385994.19
ACD/KOC (pH 7.4): 347094.09
Polar Surface Area: 55 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

Click to predict properties on the Chemicalize site


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