ChemSpider 2D Image | (1R,3R,5R,7R,9R,11S)-9-Benzoyl-3-isopropyl-4,4,8,8-tetramethyl-11-(3-methyl-2-buten-1-yl)tetracyclo[7.3.1.1~7,11~.0~1,5~]tetradecane-10,12,13-trione | C33H42O4

(1R,3R,5R,7R,9R,11S)-9-Benzoyl-3-isopropyl-4,4,8,8-tetramethyl-11-(3-methyl-2-buten-1-yl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID59006889

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3R,5R,7R,9R,11S)-9-Benzoyl-3-isopropyl-4,4,8,8-tetramethyl-11-(3-methyl-2-buten-1-yl)tetracyclo[7.3.1.17,11.01,5]tetradecan-10,12,13-trion [German] [ACD/IUPAC Name]
(1R,3R,5R,7R,9R,11S)-9-Benzoyl-3-isopropyl-4,4,8,8-tetramethyl-11-(3-methyl-2-buten-1-yl)tetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione [ACD/IUPAC Name]
(1R,3R,5R,7R,9R,11S)-9-Benzoyl-3-isopropyl-4,4,8,8-tétraméthyl-11-(3-méthyl-2-butén-1-yl)tétracyclo[7.3.1.17,11.01,5]tétradécane-10,12,13-trione [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.5±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: 274.3±17.1 °C
Index of Refraction: 1.568
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 8.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 716919.94
ACD/LogD (pH 7.4): 8.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 716919.94
Polar Surface Area: 68 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 439.3±5.0 cm3

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