ChemSpider 2D Image | (1S,6R,9R,9aS,9bS)-6,9a-Dimethyl-6-(4-methyl-3-penten-1-yl)-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-1,9-diyl bis(4-bromobenzoate) | C34H38Br2O5

(1S,6R,9R,9aS,9bS)-6,9a-Dimethyl-6-(4-methyl-3-penten-1-yl)-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-1,9-diyl bis(4-bromobenzoate)

  • Molecular FormulaC34H38Br2O5
  • Average mass686.471 Da
  • Monoisotopic mass684.108582 Da
  • ChemSpider ID8755835

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,6R,9R,9aS,9bS)-6,9a-Dimethyl-6-(4-methyl-3-penten-1-yl)-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-1,9-diyl bis(4-bromobenzoate) [ACD/IUPAC Name]
(1S,6R,9R,9aS,9bS)-6,9a-Dimethyl-6-(4-methyl-3-penten-1-yl)-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-1,9-diyl-bis(4-brombenzoat) [German] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-, (1S,6R,9R,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-6,9a-dimethyl-6-(4-methyl-3-penten-1-yl)naphtho[1,2-c]furan-1,9-diyl ester [ACD/Index Name]
Bis(4-bromobenzoate) de (1S,6R,9R,9aS,9bS)-6,9a-diméthyl-6-(4-méthyl-3-pentén-1-yl)-1,3,5,5a,6,7,8,9,9a,9b-décahydronaphto[1,2-c]furane-1,9-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 167.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.22
ACD/LogD (pH 5.5): 10.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

Click to predict properties on the Chemicalize site


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