ChemSpider 2D Image | 6,6,7,8,8-Pentamethyl-4-(~2~H_3_)methyl(3,3-~2~H_2_)-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene | C18H21D5O

6,6,7,8,8-Pentamethyl-4-(2H3)methyl(3,3-2H2)-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene

  • Molecular FormulaC18H21D5O
  • Average mass263.429 Da
  • Monoisotopic mass263.229736 Da
  • ChemSpider ID111126856
  • Non-standard isotope - Non-standard isotope


More details:






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

6,6,7,8,8-Pentamethyl-4-(2H3)methyl(3,3-2H2)-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromen [German] [ACD/IUPAC Name]
6,6,7,8,8-Pentamethyl-4-(2H3)methyl(3,3-2H2)-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene [ACD/IUPAC Name]
6,6,7,8,8-Pentaméthyl-4-(2H3)méthyl(3,3-2H2)-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromène [French] [ACD/IUPAC Name]
Indeno[5,6-c]pyran-3-d, 1,3,4,6,7,8-hexahydro-3-d-6,6,7,8,8-pentamethyl-4-(methyl-d3)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 326.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 146.1±15.5 °C
Index of Refraction: 1.499
Molar Refractivity: 80.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 19001.99
ACD/KOC (pH 5.5): 40211.57
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 19001.99
ACD/KOC (pH 7.4): 40211.57
Polar Surface Area: 9 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

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