ChemSpider 2D Image | (1R,3E,7R,8S)-8-(Benzyloxy)-3-(phenylsulfanyl)-11-oxabicyclo[5.3.1]undec-3-ene | C23H26O2S

(1R,3E,7R,8S)-8-(Benzyloxy)-3-(phenylsulfanyl)-11-oxabicyclo[5.3.1]undec-3-ene

  • Molecular FormulaC23H26O2S
  • Average mass366.516 Da
  • Monoisotopic mass366.165344 Da
  • ChemSpider ID9178264

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3E,7R,8S)-8-(Benzyloxy)-3-(phenylsulfanyl)-11-oxabicyclo[5.3.1]undec-3-en [German] [ACD/IUPAC Name]
(1R,3E,7R,8S)-8-(Benzyloxy)-3-(phenylsulfanyl)-11-oxabicyclo[5.3.1]undec-3-ene [ACD/IUPAC Name]
(1R,3E,7R,8S)-8-(Benzyloxy)-3-(phénylsulfanyl)-11-oxabicyclo[5.3.1]undéc-3-ène [French] [ACD/IUPAC Name]
11-Oxabicyclo[5.3.1]undec-3-ene, 8-(phenylmethoxy)-3-(phenylthio)-, (1R,3E,7R,8S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 261.8±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17563.20
ACD/KOC (pH 5.5): 38007.91
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17563.20
ACD/KOC (pH 7.4): 38007.91
Polar Surface Area: 44 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 313.3±5.0 cm3

Click to predict properties on the Chemicalize site


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