ChemSpider 2D Image | (3R,4aS,5R,8aS)-3-Isopropyl-5,8a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene | C15H26

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

  • Molecular FormulaC15H26
  • Average mass206.367 Da
  • Monoisotopic mass206.203445 Da
  • ChemSpider ID23254820
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3R,4aS,5R,8aS)-3-Isopropyl-5,8a-diméthyl-1,2,3,4,4a,5,6,8a-octahydronaphtalène [French] [ACD/IUPAC Name]
(3R,4aS,5R,8aS)-3-Isopropyl-5,8a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene [ACD/IUPAC Name]
(3R,4aS,5R,8aS)-3-Isopropyl-5,8a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalin [German] [ACD/IUPAC Name]
(3R,4aS,5R,8aS)-5,8a-dimethyl-3-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Naphthalene, 1,2,4a,5,6,7,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,7R,8aS)- [ACD/Index Name]
473-14-3 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 257.2±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.5±0.8 kJ/mol
Flash Point: 106.4±10.3 °C
Index of Refraction: 1.473
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18423.10
ACD/KOC (pH 5.5): 39330.84
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18423.10
ACD/KOC (pH 7.4): 39330.84
Polar Surface Area: 0 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 238.6±3.0 cm3

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