ChemSpider 2D Image | (1S,8aS)-4,7-Dimethyl-1-[(~2~H_7_)-2-propanyl]-1,2,3,5,6,8a-hexahydronaphthalene | C15H17D7

(1S,8aS)-4,7-Dimethyl-1-[(2H7)-2-propanyl]-1,2,3,5,6,8a-hexahydronaphthalene

  • Molecular FormulaC15H17D7
  • Average mass211.394 Da
  • Monoisotopic mass211.231735 Da
  • ChemSpider ID107444695

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,8aS)-4,7-Diméthyl-1-[(2H7)-2-propanyl]-1,2,3,5,6,8a-hexahydronaphtalène [French] [ACD/IUPAC Name]
(1S,8aS)-4,7-Dimethyl-1-[(2H7)-2-propanyl]-1,2,3,5,6,8a-hexahydronaphthalene [ACD/IUPAC Name]
(1S,8aS)-4,7-Dimethyl-1-[(2H7)-2-propanyl]-1,2,3,5,6,8a-hexahydronaphthalin [German] [ACD/IUPAC Name]
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-[1-(methyl-d3)ethyl-1,2,2,2-d4]-, (1S,8aS)- [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: 279.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.8±0.8 kJ/mol
Flash Point: 110.5±15.2 °C
Index of Refraction: 1.499
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17594.85
ACD/KOC (pH 5.5): 38056.94
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17594.85
ACD/KOC (pH 7.4): 38056.94
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 226.5±5.0 cm3

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