ChemSpider 2D Image | (2R,6aR,7aS)-9-Hydroxy-2,7,7,8-tetramethyl-4-methylene-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-one | C20H24O2

(2R,6aR,7aS)-9-Hydroxy-2,7,7,8-tetramethyl-4-methylene-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-one

  • Molecular FormulaC20H24O2
  • Average mass296.403 Da
  • Monoisotopic mass296.177643 Da
  • ChemSpider ID24679121

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,6aR,7aS)-9-Hydroxy-2,7,7,8-tetramethyl-4-methylen-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-on [German] [ACD/IUPAC Name]
(2R,6aR,7aS)-9-Hydroxy-2,7,7,8-tetramethyl-4-methylene-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]inden-3-one [ACD/IUPAC Name]
(2R,6aR,7aS)-9-Hydroxy-2,7,7,8-tétraméthyl-4-méthylène-1,2,4,5,6,6a,7,7a-octahydro-3H-cyclopropa[3,4]cyclohepta[1,2-e]indén-3-one [French] [ACD/IUPAC Name]
3H-Cyclopropa[3,4]cyclohept[1,2-e]inden-3-one, 1,2,4,5,6,6a,7,7a-octahydro-9-hydroxy-2,7,7,8-tetramethyl-4-methylene-, (2R,6aR,7aS)- [ACD/Index Name]
(4R,10S,12R)-7-Hydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trien-3-one
[71386-38-4] [RN]
71386-38-4 [RN]
JATROPHOLONE B
Jatropholone-B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 204.7±21.3 °C
Index of Refraction: 1.602
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28231.91
ACD/KOC (pH 5.5): 53384.08
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28001.10
ACD/KOC (pH 7.4): 52947.62
Polar Surface Area: 37 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 252.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement