ChemSpider 2D Image | 4-[(1R,2S,5S,8S,9R)-5-(Hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-2-yl]phenol | C17H24O3

4-[(1R,2S,5S,8S,9R)-5-(Hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-2-yl]phenol

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID25057735

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Oxabicyclo[3.3.1]nonane-1-methanol, 4-(4-hydroxyphenyl)-6,9-dimethyl-, (1S,4S,5R,6S,9R)- [ACD/Index Name]
4-[(1R,2S,5S,8S,9R)-5-(Hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-2-yl]phenol [ACD/IUPAC Name]
4-[(1R,2S,5S,8S,9R)-5-(Hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-2-yl]phenol [German] [ACD/IUPAC Name]
4-[(1R,2S,5S,8S,9R)-5-(Hydroxyméthyl)-8,9-diméthyl-3-oxabicyclo[3.3.1]non-2-yl]phénol [French] [ACD/IUPAC Name]
4-[(1R,2S,5S,8S,9R)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]nonan-2-yl]phenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 430.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 214.2±23.2 °C
Index of Refraction: 1.546
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.31
ACD/KOC (pH 5.5): 1358.93
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 166.73
ACD/KOC (pH 7.4): 1354.20
Polar Surface Area: 50 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 247.7±3.0 cm3

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