ChemSpider 2D Image | (1R,4r,6S)-Tricyclo[2.2.1.0~2,6~]heptan-3-one | C7H8O

(1R,4r,6S)-Tricyclo[2.2.1.02,6]heptan-3-one

  • Molecular FormulaC7H8O
  • Average mass108.138 Da
  • Monoisotopic mass108.057518 Da
  • ChemSpider ID61315504

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,4r,6S)-Tricyclo[2.2.1.02,6]heptan-3-on [German] [ACD/IUPAC Name]
(1R,4r,6S)-Tricyclo[2.2.1.02,6]heptan-3-one [ACD/IUPAC Name]
(1R,4r,6S)-Tricyclo[2.2.1.02,6]heptan-3-one [French] [ACD/IUPAC Name]
Tricyclo[2.2.1.02,6]heptan-3-one, (1R,6S)- [ACD/Index Name]
695-05-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 202.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.9±3.0 kJ/mol
Flash Point: 69.2±10.7 °C
Index of Refraction: 1.606
Molar Refractivity: 28.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.15
ACD/KOC (pH 5.5): 60.21
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 60.21
Polar Surface Area: 17 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 82.7±3.0 cm3

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