ChemSpider 2D Image | RCL T257648 | C32H46O9

RCL T257648

  • Molecular FormulaC32H46O9
  • Average mass574.702 Da
  • Monoisotopic mass574.314209 Da
  • ChemSpider ID22899820

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3R,5S,8R,9R,10R,14S)-5,9,10-Tris(methoxymethoxy)-8,15,15-trimethyl-4-methylen-13-oxotricyclo[9.3.1.03,8]pentadec-14-yl-benzoat [German] [ACD/IUPAC Name]
(3R,5S,8R,9R,10R,14S)-5,9,10-Tris(methoxymethoxy)-8,15,15-trimethyl-4-methylene-13-oxotricyclo[9.3.1.03,8]pentadec-14-yl benzoate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecen-8(2H)-one, 7-(benzoyloxy)dodecahydro-3,11,12-tris(methoxymethoxy)-12a,13,13-trimethyl-4-methylene-, (3S,4aR,7S,11R,12R,12aR)- [ACD/Index Name]
Benzoate de (3R,5S,8R,9R,10R,14S)-5,9,10-tris(méthoxyméthoxy)-8,15,15-triméthyl-4-méthylène-13-oxotricyclo[9.3.1.03,8]pentadéc-14-yle [French] [ACD/IUPAC Name]
MFCD10569458
RCL T257648

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 253.0±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1042.97
ACD/KOC (pH 5.5): 5035.93
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1042.97
ACD/KOC (pH 7.4): 5035.93
Polar Surface Area: 99 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 492.6±5.0 cm3

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