ChemSpider 2D Image | (1S,4S,5S,8R,9S)-4-[2-(Benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene | C24H28O2

(1S,4S,5S,8R,9S)-4-[2-(Benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene

  • Molecular FormulaC24H28O2
  • Average mass348.478 Da
  • Monoisotopic mass348.208923 Da
  • ChemSpider ID62631124

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4S,5S,8R,9S)-4-[2-(Benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en [German] [ACD/IUPAC Name]
(1S,4S,5S,8R,9S)-4-[2-(Benzyloxy)phenyl]-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene [ACD/IUPAC Name]
(1S,4S,5S,8R,9S)-4-[2-(Benzyloxy)phényl]-6,8,9-triméthyl-3-oxabicyclo[3.3.1]non-6-ène [French] [ACD/IUPAC Name]
3-Oxabicyclo[3.3.1]non-6-ene, 6,8,9-trimethyl-4-[2-(phenylmethoxy)phenyl]-, (1S,4S,5S,8R,9S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 458.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 161.2±28.3 °C
Index of Refraction: 1.551
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39145.25
ACD/KOC (pH 5.5): 67456.36
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39145.25
ACD/KOC (pH 7.4): 67456.36
Polar Surface Area: 18 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 331.9±3.0 cm3

Click to predict properties on the Chemicalize site


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