ChemSpider 2D Image | (1R,3aR,7aR)-1-[(2R)-6-Hydroxy-6-(~2~H_3_)methyl(7,7,7-~2~H_3_)-2-heptanyl]-7a-methyloctahydro-4H-inden-4-one | C18H26D6O2

(1R,3aR,7aR)-1-[(2R)-6-Hydroxy-6-(2H3)methyl(7,7,7-2H3)-2-heptanyl]-7a-methyloctahydro-4H-inden-4-one

  • Molecular FormulaC18H26D6O2
  • Average mass286.483 Da
  • Monoisotopic mass286.277893 Da
  • ChemSpider ID107446311

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3aR,7aR)-1-[(2R)-6-Hydroxy-6-(2H3)methyl(7,7,7-2H3)-2-heptanyl]-7a-methyloctahydro-4H-inden-4-on [German] [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2R)-6-Hydroxy-6-(2H3)methyl(7,7,7-2H3)-2-heptanyl]-7a-methyloctahydro-4H-inden-4-one [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2R)-6-Hydroxy-6-(2H3)méthyl(7,7,7-2H3)-2-heptanyl]-7a-méthyloctahydro-4H-indén-4-one [French] [ACD/IUPAC Name]
4H-Inden-4-one, octahydro-1-[(1R)-5-hydroxy-1-methyl-5-(methyl-d3)hexyl-6,6,6-d3]-7a-methyl-, (1R,3aR,7aR)- [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: 384.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 164.2±13.0 °C
Index of Refraction: 1.495
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 396.20
ACD/KOC (pH 5.5): 2518.79
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 396.20
ACD/KOC (pH 7.4): 2518.79
Polar Surface Area: 37 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 284.1±3.0 cm3

Click to predict properties on the Chemicalize site


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