ChemSpider 2D Image | 6,6,7,8,8-Pentamethyl-4-(~2~H_3_)methyl(3,3-~2~H_2_)-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one | C18H19D5O2

6,6,7,8,8-Pentamethyl-4-(2H3)methyl(3,3-2H2)-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one

  • Molecular FormulaC18H19D5O2
  • Average mass277.413 Da
  • Monoisotopic mass277.209015 Da
  • ChemSpider ID111127687

  • 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)-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-on [German] [ACD/IUPAC Name]
6,6,7,8,8-Pentamethyl-4-(2H3)methyl(3,3-2H2)-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one [ACD/IUPAC Name]
6,6,7,8,8-Pentaméthyl-4-(2H3)méthyl(3,3-2H2)-4,6,7,8-tétrahydrocyclopenta[g]isochromén-1(3H)-one [French] [ACD/IUPAC Name]
Indeno[5,6-c]pyran-1(3H)-one-3,3-d2, 4,6,7,8-tetrahydro-6,6,7,8,8-pentamethyl-4-(methyl-d3)- [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: 384.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 161.4±25.3 °C
Index of Refraction: 1.508
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11355.29
ACD/KOC (pH 5.5): 27816.32
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11355.29
ACD/KOC (pH 7.4): 27816.32
Polar Surface Area: 26 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 269.7±3.0 cm3

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