ChemSpider 2D Image | 7-{[(1R,2S,4aS,8aS)-1,2,4a-Trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,3-benzoxazole-5,6-diyl diacetate | C26H33NO5

7-{[(1R,2S,4aS,8aS)-1,2,4a-Trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,3-benzoxazole-5,6-diyl diacetate

  • Molecular FormulaC26H33NO5
  • Average mass439.544 Da
  • Monoisotopic mass439.235870 Da
  • ChemSpider ID26383903

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5,6-Benzoxazolediol, 7-[[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]methyl]-, diacetate (ester) [ACD/Index Name]
7-{[(1R,2S,4aS,8aS)-1,2,4a-Trimethyl-5-methylendecahydro-1-naphthalinyl]methyl}-1,3-benzoxazol-5,6-diyl-diacetat [German] [ACD/IUPAC Name]
7-{[(1R,2S,4aS,8aS)-1,2,4a-Trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,3-benzoxazole-5,6-diyl diacetate [ACD/IUPAC Name]
Diacétate de 7-{[(1R,2S,4aS,8aS)-1,2,4a-triméthyl-5-méthylènedécahydro-1-naphtalényl]méthyl}-1,3-benzoxazole-5,6-diyle [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: 519.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.9±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9607.06
ACD/KOC (pH 5.5): 24679.01
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9607.07
ACD/KOC (pH 7.4): 24679.04
Polar Surface Area: 79 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

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