ChemSpider 2D Image | Butyl (2R)-2-{(2R,5S)-5-[(2S)-2-hydroxybutyl]tetrahydro-2-furanyl}propanoate | C15H28O4

Butyl (2R)-2-{(2R,5S)-5-[(2S)-2-hydroxybutyl]tetrahydro-2-furanyl}propanoate

  • Molecular FormulaC15H28O4
  • Average mass272.380 Da
  • Monoisotopic mass272.198761 Da
  • ChemSpider ID40256804

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-{(2R,5S)-5-[(2S)-2-Hydroxybutyl]tétrahydro-2-furanyl}propanoate de butyle [French] [ACD/IUPAC Name]
2-Furanacetic acid, tetrahydro-5-[(2S)-2-hydroxybutyl]-α-methyl-, butyl ester, (αR,2R,5S)- [ACD/Index Name]
Butyl (2R)-2-{(2R,5S)-5-[(2S)-2-hydroxybutyl]tetrahydro-2-furanyl}propanoate [ACD/IUPAC Name]
Butyl-(2R)-2-{(2R,5S)-5-[(2S)-2-hydroxybutyl]tetrahydro-2-furanyl}propanoat [German] [ACD/IUPAC 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: 362.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 122.1±11.7 °C
Index of Refraction: 1.463
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 58.11
ACD/KOC (pH 5.5): 637.50
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 58.11
ACD/KOC (pH 7.4): 637.50
Polar Surface Area: 56 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 269.8±3.0 cm3

Click to predict properties on the Chemicalize site


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