ChemSpider 2D Image | (2R,3bS,6aS,7aR,7bR,8S)-2,7,7,8-Tetramethyl-4-methylene-4,5,6,6a,7,7a,7b,8-octahydro-1H-cyclopropa[3,4]cyclohepta[1,2-e]indene-3,9(2H,3bH)-dione | C20H26O2

(2R,3bS,6aS,7aR,7bR,8S)-2,7,7,8-Tetramethyl-4-methylene-4,5,6,6a,7,7a,7b,8-octahydro-1H-cyclopropa[3,4]cyclohepta[1,2-e]indene-3,9(2H,3bH)-dione

  • Molecular FormulaC20H26O2
  • Average mass298.419 Da
  • Monoisotopic mass298.193268 Da
  • ChemSpider ID29420115

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3bS,6aS,7aR,7bR,8S)-2,7,7,8-Tetramethyl-4-methylen-4,5,6,6a,7,7a,7b,8-octahydro-1H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3,9(2H,3bH)-dion [German] [ACD/IUPAC Name]
(2R,3bS,6aS,7aR,7bR,8S)-2,7,7,8-Tetramethyl-4-methylene-4,5,6,6a,7,7a,7b,8-octahydro-1H-cyclopropa[3,4]cyclohepta[1,2-e]indene-3,9(2H,3bH)-dione [ACD/IUPAC Name]
(2R,3bS,6aS,7aR,7bR,8S)-2,7,7,8-Tétraméthyl-4-méthylène-4,5,6,6a,7,7a,7b,8-octahydro-1H-cyclopropa[3,4]cyclohepta[1,2-e]indène-3,9(2H,3bH)-dione [French] [ACD/IUPAC Name]
1H-Cyclopropa[3,4]cyclohept[1,2-e]indene-3,9(2H,3bH)-dione, 4,5,6,6a,7,7a,7b,8-octahydro-2,7,7,8-tetramethyl-4-methylene-, (2R,3bS,6aS,7aR,7bR,8S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 422.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 157.8±25.7 °C
Index of Refraction: 1.550
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1466.09
ACD/KOC (pH 5.5): 6425.94
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1466.09
ACD/KOC (pH 7.4): 6425.94
Polar Surface Area: 34 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 268.5±5.0 cm3

Click to predict properties on the Chemicalize site


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