ChemSpider 2D Image | (3R,4aS,5R)-3-Isopropenyl-4a,5-dimethyl(1,1,6,6,7,7,8-~2~H_7_)-1,2,3,4,4a,5,6,7-octahydronaphthalene | C15H17D7

(3R,4aS,5R)-3-Isopropenyl-4a,5-dimethyl(1,1,6,6,7,7,8-2H7)-1,2,3,4,4a,5,6,7-octahydronaphthalene

  • Molecular FormulaC15H17D7
  • Average mass211.394 Da
  • Monoisotopic mass211.231735 Da
  • ChemSpider ID107448816

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4aS,5R)-3-Isopropényl-4a,5-diméthyl(1,1,6,6,7,7,8-2H7)-1,2,3,4,4a,5,6,7-octahydronaphtalène [French] [ACD/IUPAC Name]
(3R,4aS,5R)-3-Isopropenyl-4a,5-dimethyl(1,1,6,6,7,7,8-2H7)-1,2,3,4,4a,5,6,7-octahydronaphthalene [ACD/IUPAC Name]
(3R,4aS,5R)-3-Isopropenyl-4a,5-dimethyl(1,1,6,6,7,7,8-2H7)-1,2,3,4,4a,5,6,7-octahydronaphthalin [German] [ACD/IUPAC Name]
Naphthalene-1,6,7,8-d4, 1,2,3,4,4a,5,6,7-octahydro-1,6,7-d3-4a,5-dimethyl-3-(1-methylethenyl)-, (3R,4aS,5R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 270.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 48.8±0.8 kJ/mol
Flash Point: 106.0±16.6 °C
Index of Refraction: 1.495
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16233.83
ACD/KOC (pH 5.5): 35925.81
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16233.83
ACD/KOC (pH 7.4): 35925.81
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 29.7±5.0 dyne/cm
Molar Volume: 228.5±5.0 cm3

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