ChemSpider 2D Image | (2S,3bS,6aS,7aR,7bR,8S)-2-Hydroxy-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 | C20H26O3

(2S,3bS,6aS,7aR,7bR,8S)-2-Hydroxy-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 FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID29416051

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3bS,6aS,7aR,7bR,8S)-2-Hydroxy-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]
(2S,3bS,6aS,7aR,7bR,8S)-2-Hydroxy-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]
(2S,3bS,6aS,7aR,7bR,8S)-2-Hydroxy-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-hydroxy-2,7,7,8-tetramethyl-4-methylene-, (2S,3bS,6aS,7aR,7bR,8S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.2±6.0 kJ/mol
Flash Point: 246.7±25.2 °C
Index of Refraction: 1.570
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 388.10
ACD/KOC (pH 5.5): 2481.81
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 388.09
ACD/KOC (pH 7.4): 2481.74
Polar Surface Area: 54 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 265.7±5.0 cm3

Click to predict properties on the Chemicalize site


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