ChemSpider 2D Image | (1R,4R,9R,10R)-9,10-Bis(benzyloxy)-12,15,15-trimethyl-13-oxotricyclo[9.3.1.0~3,8~]pentadeca-3(8),11-dien-4-yl pivalate | C37H46O5

(1R,4R,9R,10R)-9,10-Bis(benzyloxy)-12,15,15-trimethyl-13-oxotricyclo[9.3.1.03,8]pentadeca-3(8),11-dien-4-yl pivalate

  • Molecular FormulaC37H46O5
  • Average mass570.758 Da
  • Monoisotopic mass570.334534 Da
  • ChemSpider ID9236000

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4R,9R,10R)-9,10-Bis(benzyloxy)-12,15,15-trimethyl-13-oxotricyclo[9.3.1.03,8]pentadeca-3(8),11-dien-4-yl pivalate [ACD/IUPAC Name]
(1R,4R,9R,10R)-9,10-Bis(benzyloxy)-12,15,15-trimethyl-13-oxotricyclo[9.3.1.03,8]pentadeca-3(8),11-dien-4-ylpivalat [German] [ACD/IUPAC Name]
Pivalate de (1R,4R,9R,10R)-9,10-bis(benzyloxy)-12,15,15-triméthyl-13-oxotricyclo[9.3.1.03,8]pentadéca-3(8),11-dién-4-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (4R,6R,11R,12R)-1,2,3,4,5,6,7,8,11,12-decahydro-9,13,13-trimethyl-8-oxo-11,12-bis(phenylmethoxy)-6,10-methanobenzocyclodecen-4-yl ester [ACD/Index 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: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 317.5±19.5 °C
Index of Refraction: 1.576
Molar Refractivity: 165.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 8.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 801997.31
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 801997.31
Polar Surface Area: 62 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 500.0±5.0 cm3

Click to predict properties on the Chemicalize site


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