ChemSpider 2D Image | 4,4'-(1R,7R)-Tricyclo[5.2.1.0~2,6~]decane-8,8-diyldiphenol | C22H24O2

4,4'-(1R,7R)-Tricyclo[5.2.1.02,6]decane-8,8-diyldiphenol

  • Molecular FormulaC22H24O2
  • Average mass320.425 Da
  • Monoisotopic mass320.177643 Da
  • ChemSpider ID32819227

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1943-97-1 [RN]
4,4'-(1R,7R)-Tricyclo[5.2.1.02,6]decan-8,8-diyldiphenol [German] [ACD/IUPAC Name]
4,4'-(1R,7R)-Tricyclo[5.2.1.02,6]decane-8,8-diyldiphenol [ACD/IUPAC Name]
4,4'-(1R,7R)-Tricyclo[5.2.1.02,6]décane-8,8-diyldiphénol [French] [ACD/IUPAC Name]
Phenol, 4,4'-[(4R,7R)-octahydro-4,7-methano-1H-inden-5-ylidene]bis- [ACD/Index Name]
4,4'-(Octahydro-4,7-methano-5H-inden-5-ylidene) bisphenol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 229.8±21.4 °C
Index of Refraction: 1.640
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3520.80
ACD/KOC (pH 5.5): 12030.25
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3509.03
ACD/KOC (pH 7.4): 11990.04
Polar Surface Area: 40 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 263.1±3.0 cm3

Click to predict properties on the Chemicalize site


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