ChemSpider 2D Image | (2R,3aR,5R,6S,8Z,10aR)-6-Bromo-2-[(1S)-3-bromopropadienyl]-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine | C15H20Br2O2

(2R,3aR,5R,6S,8Z,10aR)-6-Bromo-2-[(1S)-3-bromopropadienyl]-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine

  • Molecular FormulaC15H20Br2O2
  • Average mass392.126 Da
  • Monoisotopic mass389.983002 Da
  • ChemSpider ID24534493

  • 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

(2R,3aR,5R,6S,8Z,10aR)-6-Brom-2-[(1S)-3-brompropadienyl]-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonin [German] [ACD/IUPAC Name]
(2R,3aR,5R,6S,8Z,10aR)-6-Bromo-2-[(1S)-3-bromopropadienyl]-5-ethyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine [ACD/IUPAC Name]
(2R,3aR,5R,6S,8Z,10aR)-6-Bromo-2-[(1S)-3-bromopropadiényl]-5-éthyl-2,3,3a,5,6,7,10,10a-octahydrofuro[3,2-b]oxonine [French] [ACD/IUPAC Name]
Furo[3,2-b]oxonin, 6-bromo-2-[(1S)-3-bromo-1,2-propadienyl]-5-ethyl-2,3,3a,5,6,7,10,10a-octahydro-, (2R,3aR,5R,6S,8Z,10aR)- [ACD/Index Name]
83140-64-1 [RN]
AC1LCSGZ
itomanallene A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 437.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 181.3±27.2 °C
Index of Refraction: 1.565
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 758.72
ACD/KOC (pH 5.5): 4010.18
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 758.72
ACD/KOC (pH 7.4): 4010.18
Polar Surface Area: 18 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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