ChemSpider 2D Image | (1S,2S,4R)-1,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-ol | C11H20O

(1S,2S,4R)-1,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-ol

  • Molecular FormulaC11H20O
  • Average mass168.276 Da
  • Monoisotopic mass168.151413 Da
  • ChemSpider ID62900308

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,4R)-1,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-ol [German] [ACD/IUPAC Name]
(1S,2S,4R)-1,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-ol [ACD/IUPAC Name]
(1S,2S,4R)-1,2,3,3-Tétraméthylbicyclo[2.2.1]heptan-2-ol [French] [ACD/IUPAC Name]
28462-85-3 [RN]
Bicyclo[2.2.1]heptan-2-ol, 1,2,3,3-tetramethyl-, (1S,2S,4R)- [ACD/Index Name]
rel-(1R,2R,4S)-1,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 208.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.8±6.0 kJ/mol
Flash Point: 83.5±10.9 °C
Index of Refraction: 1.493
Molar Refractivity: 50.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.32
ACD/KOC (pH 5.5): 969.07
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.32
ACD/KOC (pH 7.4): 969.07
Polar Surface Area: 20 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 173.8±3.0 cm3

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