ChemSpider 2D Image | (1'S,2R,3R,3aS,4'S,5S,5'R,6aR)-3-Bromo-5-[(1R)-3-bromopropadienyl]-4'-ethyltetrahydro-3H-spiro[furo[3,2-b]furan-2,2'-[3]oxabicyclo[3.1.0]hexane] | C15H18Br2O3

(1'S,2R,3R,3aS,4'S,5S,5'R,6aR)-3-Bromo-5-[(1R)-3-bromopropadienyl]-4'-ethyltetrahydro-3H-spiro[furo[3,2-b]furan-2,2'-[3]oxabicyclo[3.1.0]hexane]

  • Molecular FormulaC15H18Br2O3
  • Average mass406.110 Da
  • Monoisotopic mass403.962250 Da
  • ChemSpider ID21431281

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1'S,2R,3R,3aS,4'S,5S,5'R,6aR)-3-Bromo-5-[(1R)-3-bromopropadienyl]-4'-ethyltetrahydro-3H-spiro[furo[3,2-b]furan-2,2'-[3]oxabicyclo[3.1.0]hexane]
spiro[furo[3,2-b]furan-2(3H),2'-[3]oxabicyclo[3.1.0]hexane], 3-bromo-5-(3-bromo-1,2-propadienyl)-4'-ethyltetrahydro-, (1'S,2R,3R,3aS,4'S,5S,5'R,6aR)-
Spiro[furo[3,2-b]furan-2(3H),2'-[3]oxabicyclo[3.1.0]hexane], 3-bromo-5-[(1S)-3-bromo-1,2-propadienyl]-4'-ethyltetrahydro-, (1'S,2R,3R,3aS,4'S,5S,5'R,6aR)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 460.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 191.9±27.2 °C
Index of Refraction: 1.604
Molar Refractivity: 83.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.44
ACD/KOC (pH 5.5): 969.88
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.44
ACD/KOC (pH 7.4): 969.88
Polar Surface Area: 28 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 243.8±5.0 cm3

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