ChemSpider 2D Image | (1R,2S,5S)-2-Ethoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane | C15H26O

(1R,2S,5S)-2-Ethoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID31042922
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,2S,5S)-2-Ethoxy-2,6,6-trimethyl-9-methylenbicyclo[3.3.1]nonan [German] [ACD/IUPAC Name]
(1R,2S,5S)-2-Ethoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane [ACD/IUPAC Name]
(1R,2S,5S)-2-Éthoxy-2,6,6-triméthyl-9-méthylènebicyclo[3.3.1]nonane [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]nonane, 2-ethoxy-2,6,6-trimethyl-9-methylene-, (1R,2S,5S)- [ACD/Index Name]
68845-00-1 [RN]
BOISIRIS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 267.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 109.7±17.2 °C
Index of Refraction: 1.480
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2265.52
ACD/KOC (pH 5.5): 8774.56
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2265.52
ACD/KOC (pH 7.4): 8774.56
Polar Surface Area: 9 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 30.0±5.0 dyne/cm
Molar Volume: 241.9±5.0 cm3

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