ChemSpider 2D Image | (3S,3aR,5R)-5-Isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene | C15H24

(3S,3aR,5R)-5-Isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID74160747
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,3aR,5R)-5-Isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen [German] [ACD/IUPAC Name]
(3S,3aR,5R)-5-Isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene [ACD/IUPAC Name]
(3S,3aR,5R)-5-Isopropényl-3,8-diméthyl-1,2,3,3a,4,5,6,7-octahydroazulène [French] [ACD/IUPAC Name]
Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,7R,8aR)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 274.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.2±0.8 kJ/mol
Flash Point: 107.9±16.6 °C
Index of Refraction: 1.492
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18801.04
ACD/KOC (pH 5.5): 39906.73
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18801.04
ACD/KOC (pH 7.4): 39906.73
Polar Surface Area: 0 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 29.2±5.0 dyne/cm
Molar Volume: 228.5±5.0 cm3

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