ChemSpider 2D Image | (1R)-1-[(2R)-6-Oxotetrahydro-2H-pyran-2-yl]undecyl acetate | C18H32O4

(1R)-1-[(2R)-6-Oxotetrahydro-2H-pyran-2-yl]undecyl acetate

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID28286233

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R)-1-[(2R)-6-Oxotetrahydro-2H-pyran-2-yl]undecyl acetate [ACD/IUPAC Name]
(1R)-1-[(2R)-6-Oxotetrahydro-2H-pyran-2-yl]undecyl-acetat [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1R)-1-(acetyloxy)undecyl]tetrahydro-, (6R)- [ACD/Index Name]
Acétate de (1R)-1-[(2R)-6-oxotétrahydro-2H-pyran-2-yl]undécyle [French] [ACD/IUPAC Name]
()-(5R,6S)-6-acetoxy-5-hexadecanolide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 426.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 205.9±19.6 °C
Index of Refraction: 1.464
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8494.25
ACD/KOC (pH 5.5): 22597.37
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8494.25
ACD/KOC (pH 7.4): 22597.37
Polar Surface Area: 53 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement