ChemSpider 2D Image | (1S,1'R,2S,6S,6'S,9'R)-6-(Hydroxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecan]-2-yl acetate | C22H30O6

(1S,1'R,2S,6S,6'S,9'R)-6-(Hydroxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecan]-2-yl acetate

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID113609673

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,1'R,2S,6S,6'S,9'R)-6-(Hydroxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecan]-2-yl acetate [ACD/IUPAC 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: 574.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 198.3±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.07
ACD/KOC (pH 5.5): 589.32
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.07
ACD/KOC (pH 7.4): 589.32
Polar Surface Area: 90 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 313.8±5.0 cm3

Click to predict properties on the Chemicalize site


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