ChemSpider 2D Image | Methyl (4S)-4-(tetrahydro-2H-pyran-2-yloxy)-2-adamantanecarboxylate | C17H26O4

Methyl (4S)-4-(tetrahydro-2H-pyran-2-yloxy)-2-adamantanecarboxylate

  • Molecular FormulaC17H26O4
  • Average mass294.386 Da
  • Monoisotopic mass294.183105 Da
  • ChemSpider ID21473828

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(4S)-4-(Tétrahydro-2H-pyran-2-yloxy)-2-adamantanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (4S)-4-(tetrahydro-2H-pyran-2-yloxy)-2-adamantanecarboxylate [ACD/IUPAC Name]
Methyl-(4S)-4-(tetrahydro-2H-pyran-2-yloxy)-2-adamantancarboxylat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-2-carboxylic acid, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (4S)- [ACD/Index Name]
methyl 4-(tetrahydro-2H-pyran-2-yloxy)adamantane-2-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 170.7±26.5 °C
Index of Refraction: 1.526
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.34
ACD/KOC (pH 5.5): 796.64
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.34
ACD/KOC (pH 7.4): 796.64
Polar Surface Area: 45 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 253.3±5.0 cm3

Click to predict properties on the Chemicalize site


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