ChemSpider 2D Image | (3a'R,4a'S,7a'S,8a'R)-4',8'-Bis(benzyloxy)hexahydrodispiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzodioxole-6',1''-cyclohexane] | C32H40O6

(3a'R,4a'S,7a'S,8a'R)-4',8'-Bis(benzyloxy)hexahydrodispiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzodioxole-6',1''-cyclohexane]

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID5447458

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3a'R,4a'S,7a'S,8a'R)-4',8'-Bis(benzyloxy)hexahydrodispiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzodioxole-6',1''-cyclohexane] [ACD/IUPAC Name]
Dispiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzodioxole-6',1''-cyclohexane], hexahydro-4',8'-bis(phenylmethoxy)-, (3a'R,4a'S,7a'S,8a'R)- [ACD/Index Name]

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

ZINC02524521 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 248.3±31.4 °C
Index of Refraction: 1.600
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.90
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 732730.81
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 732730.81
Polar Surface Area: 55 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 421.6±5.0 cm3

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