ChemSpider 2D Image | (1aR,4aR,7R,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene | C15H24

(1aR,4aR,7R,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID23977614
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(1aR,4aR,7R,7bS)-1,1,7-Trimethyl-4-methylendecahydro-1H-cyclopropa[e]azulen [German] [ACD/IUPAC Name]
(1aR,4aR,7R,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene [ACD/IUPAC Name]
(1aR,4aR,7R,7bS)-1,1,7-Triméthyl-4-méthylènedécahydro-1H-cyclopropa[e]azulène [French] [ACD/IUPAC Name]
1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7bS)- [ACD/Index Name]
(+)-AROMADENDRENE
489-39-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 258.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.6±0.8 kJ/mol
Flash Point: 106.5±5.8 °C
Index of Refraction: 1.505
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20346.39
ACD/KOC (pH 5.5): 42228.12
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20346.39
ACD/KOC (pH 7.4): 42228.12
Polar Surface Area: 0 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 30.7±5.0 dyne/cm
Molar Volume: 218.3±5.0 cm3

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