ChemSpider 2D Image | (1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-diyldimethanol | C9H14O2

(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-diyldimethanol

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID28536440

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-en-2,3-diyldimethanol [German] [ACD/IUPAC Name]
(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-diyldimethanol [ACD/IUPAC Name]
(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ène-2,3-diyldiméthanol [French] [ACD/IUPAC Name]
699-96-7 [RN]
Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, (1R,2R,3R,4S)- [ACD/Index Name]
rel-(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol
((1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-diyl)dimethanol
[(1R,2R,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
[79516-58-8] [RN]
79516-58-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 259.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.8±6.0 kJ/mol
Flash Point: 122.7±15.0 °C
Index of Refraction: 1.537
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 62.93
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 62.93
Polar Surface Area: 40 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 135.6±3.0 cm3

Click to predict properties on the Chemicalize site


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