ChemSpider 2D Image | (4S,6S)-4-Hydroxy-6-{2-[4-(2-methyl-2-propanyl)phenyl]ethyl}tetrahydro-2H-pyran-2-one | C17H24O3

(4S,6S)-4-Hydroxy-6-{2-[4-(2-methyl-2-propanyl)phenyl]ethyl}tetrahydro-2H-pyran-2-one

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID62801907

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,6S)-4-Hydroxy-6-{2-[4-(2-methyl-2-propanyl)phenyl]ethyl}tetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4S,6S)-4-Hydroxy-6-{2-[4-(2-methyl-2-propanyl)phenyl]ethyl}tetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4S,6S)-4-Hydroxy-6-{2-[4-(2-méthyl-2-propanyl)phényl]éthyl}tétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-[4-(1,1-dimethylethyl)phenyl]ethyl]tetrahydro-4-hydroxy-, (4S,6S)- [ACD/Index Name]
(4S,6S)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one
81329-72-8 [RN]

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

SC 33459 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 179.5±18.2 °C
Index of Refraction: 1.526
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.95
ACD/KOC (pH 5.5): 946.54
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.95
ACD/KOC (pH 7.4): 946.54
Polar Surface Area: 47 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 255.9±3.0 cm3

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