ChemSpider 2D Image | (1S,2S,4R,6R,7R)-6-Bromo-4-(1-bromopropyl)-2-[(2E)-2-penten-4-yn-1-yl]-3,8-dioxabicyclo[5.1.1]nonane | C15H20Br2O2

(1S,2S,4R,6R,7R)-6-Bromo-4-(1-bromopropyl)-2-[(2E)-2-penten-4-yn-1-yl]-3,8-dioxabicyclo[5.1.1]nonane

  • Molecular FormulaC15H20Br2O2
  • Average mass392.126 Da
  • Monoisotopic mass389.983002 Da
  • ChemSpider ID29216035
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(1S,2S,4R,6R,7R)-6-Brom-4-(1-brompropyl)-2-[(2E)-2-penten-4-in-1-yl]-3,8-dioxabicyclo[5.1.1]nonan [German] [ACD/IUPAC Name]
(1S,2S,4R,6R,7R)-6-Bromo-4-(1-bromopropyl)-2-[(2E)-2-penten-4-yn-1-yl]-3,8-dioxabicyclo[5.1.1]nonane [ACD/IUPAC Name]
(1S,2S,4R,6R,7R)-6-Bromo-4-(1-bromopropyl)-2-[(2E)-2-pentén-4-yn-1-yl]-3,8-dioxabicyclo[5.1.1]nonane [French] [ACD/IUPAC Name]
D-arabino-Heptitol, 1,7:4,6-dianhydro-3-bromo-1-C-(1-bromopropyl)-2,3,5-trideoxy-7-C-[(2E)-2-penten-4-yn-1-yl]-, (1R,7S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 424.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 175.9±25.8 °C
Index of Refraction: 1.542
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 725.87
ACD/KOC (pH 5.5): 3885.11
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 725.87
ACD/KOC (pH 7.4): 3885.11
Polar Surface Area: 18 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 266.9±3.0 cm3

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