ChemSpider 2D Image | (1aR,4R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene | C15H24

(1aR,4R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID29367472

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1aR,4R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulen [German] [ACD/IUPAC Name]
(1aR,4R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene [ACD/IUPAC Name]
(1aR,4R,7bS)-1,1,4,7-Tétraméthyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulène [French] [ACD/IUPAC Name]
1H-Cycloprop[e]azulene, 1a,2,3,4,5,6,7,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,7bS)- [ACD/Index Name]
(-)-Isoledene
95910-36-4 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 266.8±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 48.4±0.8 kJ/mol
Flash Point: 102.7±13.0 °C
Index of Refraction: 1.512
Molar Refractivity: 64.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 34707.85
ACD/KOC (pH 5.5): 61890.24
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 34707.85
ACD/KOC (pH 7.4): 61890.24
Polar Surface Area: 0 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 31.5±5.0 dyne/cm
Molar Volume: 215.6±5.0 cm3

Click to predict properties on the Chemicalize site


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