Found 58 results

Search term: MF = 'C_{15}H_{18}Br_{2}O_{3}'
ChemSpider 2D Image | hachijojimallene B | C15H18Br2O3

hachijojimallene B

  • Molecular FormulaC15H18Br2O3
  • Average mass406.110 Da
  • Monoisotopic mass403.962250 Da
  • ChemSpider ID62343791

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1S,3R,7R,8R,9R,10R,12S)-12-Brom-5-(3-brompropadienyl)-9-ethyl-2,6,13-trioxatetracyclo[8.2.1.01,8.03,7]tridecan [German] [ACD/IUPAC Name]
(1S,3R,7R,8R,9R,10R,12S)-12-Bromo-5-(3-bromopropadienyl)-9-ethyl-2,6,13-trioxatetracyclo[8.2.1.01,8.03,7]tridecane [ACD/IUPAC Name]
(1S,3R,7R,8R,9R,10R,12S)-12-Bromo-5-(3-bromopropadiényl)-9-éthyl-2,6,13-trioxatétracyclo[8.2.1.01,8.03,7]tridécane [French] [ACD/IUPAC Name]
2H-4a,7-Epoxyfuro[3,2-b]benzofuran, 5-bromo-2-(3-bromo-1,2-propadienyl)-8-ethyloctahydro-, (3aR,4aS,5S,7R,8R,8aR,8bR)- [ACD/Index Name]
hachijojimallene B

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: 3.01
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.82
ACD/KOC (pH 5.5): 1101.84
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.82
ACD/KOC (pH 7.4): 1101.84
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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