ChemSpider 2D Image | (1R,3S,4R,5R,7S)-4-Methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione | C36H54O5

(1R,3S,4R,5R,7S)-4-Methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID59006885
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(1R,3S,4R,5R,7S)-4-Methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-8-oxabicyclo[5.2.1]decan-6,9,10-trion [German] [ACD/IUPAC Name]
(1R,3S,4R,5R,7S)-4-Methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methyl-2-buten-1-yl)-4-(4-methyl-3-penten-1-yl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione [ACD/IUPAC Name]
(1R,3S,4R,5R,7S)-4-Méthyl-5-(2-méthylbutanoyl)-1,3,7-tris(3-méthyl-2-butén-1-yl)-4-(4-méthyl-3-pentén-1-yl)-8-oxabicyclo[5.2.1]décane-6,9,10-trione [French] [ACD/IUPAC Name]
8-Oxabicyclo[5.2.1]decane-6,9,10-trione, 4-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-4-(4-methyl-3-penten-1-yl)-, (1R,3S,4R,5R,7S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 653.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 266.3±31.5 °C
Index of Refraction: 1.498
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.09
ACD/LogD (pH 5.5): 9.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5837325.50
ACD/LogD (pH 7.4): 9.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5645802.50
Polar Surface Area: 78 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 566.6±3.0 cm3

Click to predict properties on the Chemicalize site






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