ChemSpider 2D Image | Methyl (1R,2E,6E,11S,14S,15R)-3,7,11,15-tetramethyl-9-oxobicyclo[12.1.0]pentadeca-2,6-diene-15-carboxylate | C21H32O3

Methyl (1R,2E,6E,11S,14S,15R)-3,7,11,15-tetramethyl-9-oxobicyclo[12.1.0]pentadeca-2,6-diene-15-carboxylate

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID114271589

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2E,6E,11S,14S,15R)-3,7,11,15-Tétraméthyl-9-oxobicyclo[12.1.0]pentadéca-2,6-diène-15-carboxylate de méthyle [French] [ACD/IUPAC Name]
Bicyclo[12.1.0]pentadeca-2,6-diene-15-carboxylic acid, 3,7,11,15-tetramethyl-9-oxo-, methyl ester, (1R,2E,6E,11S,14S,15R)- [ACD/Index Name]
Methyl (1R,2E,6E,11S,14S,15R)-3,7,11,15-tetramethyl-9-oxobicyclo[12.1.0]pentadeca-2,6-diene-15-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2E,6E,11S,14S,15R)-3,7,11,15-tetramethyl-9-oxobicyclo[12.1.0]pentadeca-2,6-dien-15-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 429.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 183.7±28.8 °C
Index of Refraction: 1.474
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13770.34
ACD/KOC (pH 5.5): 31933.37
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13770.34
ACD/KOC (pH 7.4): 31933.37
Polar Surface Area: 43 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

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