ChemSpider 2D Image | Methyl (4S,7r,9S,10S)-10-chlorotricyclo[10.2.2.2~4,7~]octadeca-1(14),12,15-triene-9-carboxylate | C20H27ClO2

Methyl (4S,7r,9S,10S)-10-chlorotricyclo[10.2.2.24,7]octadeca-1(14),12,15-triene-9-carboxylate

  • Molecular FormulaC20H27ClO2
  • Average mass334.880 Da
  • Monoisotopic mass334.169952 Da
  • ChemSpider ID62628297

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,7r,9S,10S)-10-Chlorotricyclo[10.2.2.24,7]octadéca-1(14),12,15-triène-9-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (4S,7r,9S,10S)-10-chlorotricyclo[10.2.2.24,7]octadeca-1(14),12,15-triene-9-carboxylate [ACD/IUPAC Name]
Methyl-(4S,7r,9S,10S)-10-chlortricyclo[10.2.2.24,7]octadeca-1(14),12,15-trien-9-carboxylat [German] [ACD/IUPAC Name]
Tricyclo[10.2.2.24,7]octadeca-12,14,15-triene-9-carboxylic acid, 10-chloro-, methyl ester, (9S,10S)- [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: 456.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 237.0±24.2 °C
Index of Refraction: 1.544
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33755.77
ACD/KOC (pH 5.5): 60670.23
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33755.77
ACD/KOC (pH 7.4): 60670.23
Polar Surface Area: 26 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 298.2±5.0 cm3

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