ChemSpider 2D Image | (1R,1'S,9'R)-2-(Hydroxymethyl)-3,3-dimethyl-10'-methylene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecane]-2',11'-dione | C20H28O4

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

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID32033889
  • defined stereocentres - 3 of 5 defined stereocentres


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(1R,1'S,9'R)-2-(Hydroxymethyl)-3,3-dimethyl-10'-methylene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecane]-2',11'-dione [ACD/IUPAC Name]
sculponeatin N

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 533.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 189.5±18.9 °C
Index of Refraction: 1.557
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.75
ACD/KOC (pH 5.5): 924.99
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.75
ACD/KOC (pH 7.4): 924.99
Polar Surface Area: 64 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

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