ChemSpider 2D Image | (1S,3aR,4S,6S)-1,4,7-Trimethyl-6-(2-methyl-1-propen-1-yl)-9-[2-(methylsulfanyl)ethyl]-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole | C24H33NOS

(1S,3aR,4S,6S)-1,4,7-Trimethyl-6-(2-methyl-1-propen-1-yl)-9-[2-(methylsulfanyl)ethyl]-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole

  • Molecular FormulaC24H33NOS
  • Average mass383.590 Da
  • Monoisotopic mass383.228271 Da
  • ChemSpider ID26615593

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3aR,4S,6S)-1,4,7-Trimethyl-6-(2-methyl-1-propen-1-yl)-9-[2-(methylsulfanyl)ethyl]-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazol [German] [ACD/IUPAC Name]
(1S,3aR,4S,6S)-1,4,7-Trimethyl-6-(2-methyl-1-propen-1-yl)-9-[2-(methylsulfanyl)ethyl]-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole [ACD/IUPAC Name]
(1S,3aR,4S,6S)-1,4,7-Triméthyl-6-(2-méthyl-1-propén-1-yl)-9-[2-(méthylsulfanyl)éthyl]-2,3,3a,4,5,6-hexahydro-1H-phénaléno[2,1-d][1,3]oxazole [French] [ACD/IUPAC Name]
1H-Phenaleno[2,1-d]oxazole, 2,3,3a,4,5,6-hexahydro-1,4,7-trimethyl-6-(2-methyl-1-propen-1-yl)-9-[2-(methylthio)ethyl]-, (1S,3aR,4S,6S)- [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: 502.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 257.8±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 743541.13
ACD/KOC (pH 5.5): 548672.44
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 773487.00
ACD/KOC (pH 7.4): 570770.00
Polar Surface Area: 51 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 349.8±3.0 cm3

Click to predict properties on the Chemicalize site


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