ChemSpider 2D Image | (1R,5S,8R)-2,4,8-Trimethyl-4-(~2~H_1_)methyltricyclo[3.3.3.0~1,5~]undec-2-ene | C15H23D

(1R,5S,8R)-2,4,8-Trimethyl-4-(2H1)methyltricyclo[3.3.3.01,5]undec-2-ene

  • Molecular FormulaC15H23D
  • Average mass205.357 Da
  • Monoisotopic mass205.194077 Da
  • ChemSpider ID9754107

  • 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

(1R,5S,8R)-2,4,8-Trimethyl-4-(2H1)methyltricyclo[3.3.3.01,5]undec-2-en [German] [ACD/IUPAC Name]
(1R,5S,8R)-2,4,8-Trimethyl-4-(2H1)methyltricyclo[3.3.3.01,5]undec-2-ene [ACD/IUPAC Name]
(1R,5S,8R)-2,4,8-Triméthyl-4-(2H1)méthyltricyclo[3.3.3.01,5]undéc-2-ène [French] [ACD/IUPAC Name]
1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,3,4-trimethyl-1-(methyl-d)-, (3aR,4R,6aS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 267.5±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 48.5±0.8 kJ/mol
Flash Point: 113.8±6.6 °C
Index of Refraction: 1.518
Molar Refractivity: 65.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18661.58
ACD/KOC (pH 5.5): 39694.61
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18661.58
ACD/KOC (pH 7.4): 39694.61
Polar Surface Area: 0 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 32.6±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

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