ChemSpider 2D Image | (1R,2S,5S,7S)-Tetracyclo[3.2.0.0~2,7~.0~4,6~]heptan-3-one | C7H6O

(1R,2S,5S,7S)-Tetracyclo[3.2.0.02,7.04,6]heptan-3-one

  • Molecular FormulaC7H6O
  • Average mass106.122 Da
  • Monoisotopic mass106.041862 Da
  • ChemSpider ID110543617

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,5S,7S)-Tetracyclo[3.2.0.02,7.04,6]heptan-3-on [German] [ACD/IUPAC Name]
(1R,2S,5S,7S)-Tetracyclo[3.2.0.02,7.04,6]heptan-3-one [ACD/IUPAC Name]
(1R,2S,5S,7S)-Tétracyclo[3.2.0.02,7.04,6]heptan-3-one [French] [ACD/IUPAC Name]
Tetracyclo[3.2.0.02,7.04,6]heptan-3-one, (1R,2S,5S,7S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 236.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 89.5±10.7 °C
Index of Refraction: 1.773
Molar Refractivity: 26.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.74
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.74
Polar Surface Area: 17 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 63.8±3.0 cm3

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