ChemSpider 2D Image | (2R,4R,9R,13R)-5,5,9-Trimethyl-14-methylene-8,10,15-trioxotricyclo[11.2.1.0~4,9~]hexadec-1(16)-en-2-yl chloroacetate | C22H27ClO5

(2R,4R,9R,13R)-5,5,9-Trimethyl-14-methylene-8,10,15-trioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-2-yl chloroacetate

  • Molecular FormulaC22H27ClO5
  • Average mass406.900 Da
  • Monoisotopic mass406.154694 Da
  • ChemSpider ID129245407

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4R,9R,13R)-5,5,9-Trimethyl-14-methylen-8,10,15-trioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-2-yl-chloracetat [German] [ACD/IUPAC Name]
(2R,4R,9R,13R)-5,5,9-Trimethyl-14-methylene-8,10,15-trioxotricyclo[11.2.1.04,9]hexadec-1(16)-en-2-yl chloroacetate [ACD/IUPAC Name]
Acetic acid, 2-chloro-, (4aR,6R,10R,13aR)-1,2,3,4,4a,5,6,8,9,10,11,12,13,13a-tetradecahydro-4,4,13a-trimethyl-9-methylene-1,8,13-trioxo-10,7-metheno-7H-benzocycloundecen-6-yl ester [ACD/Index Name]
Chloroacétate de (2R,4R,9R,13R)-5,5,9-triméthyl-14-méthylène-8,10,15-trioxotricyclo[11.2.1.04,9]hexadéc-1(16)-én-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 195.4±29.1 °C
Index of Refraction: 1.544
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.59
ACD/KOC (pH 5.5): 1205.92
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.59
ACD/KOC (pH 7.4): 1205.92
Polar Surface Area: 78 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 329.6±5.0 cm3

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