ChemSpider 2D Image | Methyl 2,4a,6a,6b,9,9,13a-heptamethyl-14-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14-hexadecahydropiceno[2,3-d][1,2]oxazole-2-carboxylate | C32H43NO4

Methyl 2,4a,6a,6b,9,9,13a-heptamethyl-14-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14-hexadecahydropiceno[2,3-d][1,2]oxazole-2-carboxylate

  • Molecular FormulaC32H43NO4
  • Average mass505.688 Da
  • Monoisotopic mass505.319214 Da
  • ChemSpider ID3012451

More details:

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

2,4a,6a,6b,9,9,13a-Heptaméthyl-14-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14-hexadécahydropicéno[2,3-d][1,2]oxazole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,4a,6a,6b,9,9,13a-heptamethyl-14-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14-hexadecahydropiceno[2,3-d][1,2]oxazole-2-carboxylate [ACD/IUPAC Name]
Methyl-2,4a,6a,6b,9,9,13a-heptamethyl-14-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14-hexadecahydropiceno[2,3-d][1,2]oxazol-2-carboxylat [German] [ACD/IUPAC Name]
Piceno[2,3-d]isoxazole-2-carboxylic acid, 2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14-hexadecahydro-2,4a,6a,6b,9,9,13a-heptamethyl-14-oxo-, methyl ester [ACD/Index 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: 590.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.8±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 211959.30
ACD/KOC (pH 5.5): 225999.45
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 211959.30
ACD/KOC (pH 7.4): 225999.45
Polar Surface Area: 69 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 432.4±5.0 cm3

Click to predict properties on the Chemicalize site


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