ChemSpider 2D Image | (1aR,1bR,7aR,8aR)-1a,7a-Dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphthalene-3,6-dione | C16H18O2

(1aR,1bR,7aR,8aR)-1a,7a-Dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphthalene-3,6-dione

  • Molecular FormulaC16H18O2
  • Average mass242.313 Da
  • Monoisotopic mass242.130676 Da
  • ChemSpider ID24671434

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1aR,1bR,7aR,8aR)-1a,7a-Diméthyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphtalène-3,6-dione [French] [ACD/IUPAC Name]
(1aR,1bR,7aR,8aR)-1a,7a-Dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphthalene-3,6-dione [ACD/IUPAC Name]
(1aR,1bR,7aR,8aR)-1a,7a-Dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphthalin-3,6-dion [German] [ACD/IUPAC Name]
Cyclopropa[3,4]cyclopenta[1,2-b]naphthalene-3,6-dione, 1,1a,1b,2,7,7a,8,8a-octahydro-1a,7a-dimethyl-, (1aR,1bR,7aR,8aR)- [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: 346.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 129.9±17.9 °C
Index of Refraction: 1.592
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 832.78
ACD/KOC (pH 5.5): 4286.62
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 832.78
ACD/KOC (pH 7.4): 4286.62
Polar Surface Area: 34 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 199.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement