ChemSpider 2D Image | Ethyl (1r,3s,5R,7S)-3-hydroxy-1-adamantanecarboxylate | C13H20O3

Ethyl (1r,3s,5R,7S)-3-hydroxy-1-adamantanecarboxylate

  • Molecular FormulaC13H20O3
  • Average mass224.296 Da
  • Monoisotopic mass224.141251 Da
  • ChemSpider ID29364467

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,3s,5R,7S)-3-Hydroxy-1-adamantanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
122661-59-0 [RN]
Ethyl (1r,3s,5R,7S)-3-hydroxy-1-adamantanecarboxylate [ACD/IUPAC Name]
Ethyl-(1r,3s,5R,7S)-3-hydroxy-1-adamantancarboxylat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-hydroxy-, ethyl ester, (5R,7S)- [ACD/Index Name]
ethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
Ethyl 3-hydroxyadamantancarboxylate
Ethyl 3-hydroxyadamantane-1-carboxylate
ethyl rac-(5S,7R)-3-hydroxyadamantane-1-carboxylate
ETHYL-3-HDYROXYADAMANTANE-1-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 311.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 125.4±15.9 °C
Index of Refraction: 1.571
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.73
ACD/KOC (pH 5.5): 413.38
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.73
ACD/KOC (pH 7.4): 413.38
Polar Surface Area: 47 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 180.1±3.0 cm3

Click to predict properties on the Chemicalize site


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