ChemSpider 2D Image | 2-[(1S,2S,5S,6R,9R)-6,8,9-Trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol | C17H22O2

2-[(1S,2S,5S,6R,9R)-6,8,9-Trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

  • Molecular FormulaC17H22O2
  • Average mass258.355 Da
  • Monoisotopic mass258.161987 Da
  • ChemSpider ID62382384

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(1S,2S,5S,6R,9R)-6,8,9-Trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol [German] [ACD/IUPAC Name]
2-[(1S,2S,5S,6R,9R)-6,8,9-Trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol [ACD/IUPAC Name]
2-[(1S,2S,5S,6R,9R)-6,8,9-Triméthyl-3-oxabicyclo[3.3.1]non-7-én-2-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-[(1S,2S,5S,6R,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 327.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 124.2±22.1 °C
Index of Refraction: 1.536
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 800.05
ACD/KOC (pH 5.5): 4165.31
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 796.33
ACD/KOC (pH 7.4): 4145.92
Polar Surface Area: 29 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 245.6±3.0 cm3

Click to predict properties on the Chemicalize site


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