ChemSpider 2D Image | (10aS)-5-Bromo-4-isopropyl-2,2,7,7,10a-pentamethyl-8,9,10,10a-tetrahydro-7H-fluoreno[3,4-d][1,3]dioxole | C22H29BrO2

(10aS)-5-Bromo-4-isopropyl-2,2,7,7,10a-pentamethyl-8,9,10,10a-tetrahydro-7H-fluoreno[3,4-d][1,3]dioxole

  • Molecular FormulaC22H29BrO2
  • Average mass405.368 Da
  • Monoisotopic mass404.135071 Da
  • ChemSpider ID30659109

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10aS)-5-Brom-4-isopropyl-2,2,7,7,10a-pentamethyl-8,9,10,10a-tetrahydro-7H-fluoreno[3,4-d][1,3]dioxol [German] [ACD/IUPAC Name]
(10aS)-5-Bromo-4-isopropyl-2,2,7,7,10a-pentamethyl-8,9,10,10a-tetrahydro-7H-fluoreno[3,4-d][1,3]dioxole [ACD/IUPAC Name]
(10aS)-5-Bromo-4-isopropyl-2,2,7,7,10a-pentaméthyl-8,9,10,10a-tétrahydro-7H-fluoréno[3,4-d][1,3]dioxole [French] [ACD/IUPAC Name]
7H-Fluoreno[3,4-d]-1,3-dioxole, 5-bromo-8,9,10,10a-tetrahydro-2,2,7,7,10a-pentamethyl-4-(1-methylethyl)-, (10aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 454.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 166.2±24.2 °C
Index of Refraction: 1.588
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.43
ACD/LogD (pH 5.5): 8.14
ACD/BCF (pH 5.5): 910007.44
ACD/KOC (pH 5.5): 641287.94
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 910007.44
ACD/KOC (pH 7.4): 641287.94
Polar Surface Area: 18 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 313.6±5.0 cm3

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