ChemSpider 2D Image | (5S)-2-Acetyl-5-hydroxy-3-undecyl-2-cyclohexen-1-one | C19H32O3

(5S)-2-Acetyl-5-hydroxy-3-undecyl-2-cyclohexen-1-one

  • Molecular FormulaC19H32O3
  • Average mass308.456 Da
  • Monoisotopic mass308.235138 Da
  • ChemSpider ID35517167

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-2-Acetyl-5-hydroxy-3-undecyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(5S)-2-Acetyl-5-hydroxy-3-undecyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(5S)-2-Acétyl-5-hydroxy-3-undécyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2-acetyl-5-hydroxy-3-undecyl-, (5S)- [ACD/Index 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: 471.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.7±6.0 kJ/mol
Flash Point: 253.2±25.2 °C
Index of Refraction: 1.494
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4458.28
ACD/KOC (pH 5.5): 14245.16
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4458.28
ACD/KOC (pH 7.4): 14245.15
Polar Surface Area: 54 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 306.6±3.0 cm3

Click to predict properties on the Chemicalize site


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