ChemSpider 2D Image | (+)-(R)-7a-benzyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione | C16H16O2

(+)-(R)-7a-benzyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione

  • Molecular FormulaC16H16O2
  • Average mass240.297 Da
  • Monoisotopic mass240.115036 Da
  • ChemSpider ID25938776

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-(R)-7a-benzyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione
(7aR)-7a-Benzyl-2,3,7,7a-tetrahydro-1H-inden-1,5(6H)-dion [German] [ACD/IUPAC Name]
(7aR)-7a-Benzyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione [ACD/IUPAC Name]
(7aR)-7a-Benzyl-2,3,7,7a-tétrahydro-1H-indène-1,5(6H)-dione [French] [ACD/IUPAC Name]
1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-(phenylmethyl)-, (7aR)- [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: 421.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 157.5±22.7 °C
Index of Refraction: 1.590
Molar Refractivity: 68.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.10
ACD/KOC (pH 5.5): 319.08
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.10
ACD/KOC (pH 7.4): 319.08
Polar Surface Area: 34 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 204.3±5.0 cm3

Click to predict properties on the Chemicalize site


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