ChemSpider 2D Image | (1S,3R,4S,6S,7S,9S)-4,6-Dibromo-3-ethyl-9-[(2Z)-2-penten-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decane | C15H20Br2O2

(1S,3R,4S,6S,7S,9S)-4,6-Dibromo-3-ethyl-9-[(2Z)-2-penten-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decane

  • Molecular FormulaC15H20Br2O2
  • Average mass392.126 Da
  • Monoisotopic mass389.983002 Da
  • ChemSpider ID57641936
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1S,3R,4S,6S,7S,9S)-4,6-Dibrom-3-ethyl-9-[(2Z)-2-penten-4-in-1-yl]-2,8-dioxabicyclo[5.2.1]decan [German] [ACD/IUPAC Name]
(1S,3R,4S,6S,7S,9S)-4,6-Dibromo-3-ethyl-9-[(2Z)-2-penten-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decane [ACD/IUPAC Name]
(1S,3R,4S,6S,7S,9S)-4,6-Dibromo-3-éthyl-9-[(2Z)-2-pentén-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]décane [French] [ACD/IUPAC Name]
2,8-Dioxabicyclo[5.2.1]decane, 4,6-dibromo-3-ethyl-9-[(2Z)-2-penten-4-yn-1-yl]-, (1S,3R,4S,6S,7S,9S)- [ACD/Index Name]
(3Z)-Bromofucin
861958-67-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 419.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 173.7±27.2 °C
Index of Refraction: 1.533
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 770.14
ACD/KOC (pH 5.5): 4053.29
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 770.14
ACD/KOC (pH 7.4): 4053.29
Polar Surface Area: 18 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 271.3±3.0 cm3

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