ChemSpider 2D Image | (5R)-3-Acetyl-1-[(2E)-2-decenoyl]-4-hydroxy-5-isobutyl-1,5-dihydro-2H-pyrrol-2-one | C20H31NO4

(5R)-3-Acetyl-1-[(2E)-2-decenoyl]-4-hydroxy-5-isobutyl-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC20H31NO4
  • Average mass349.464 Da
  • Monoisotopic mass349.225311 Da
  • ChemSpider ID78438453

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3-Acetyl-1-[(2E)-2-decenoyl]-4-hydroxy-5-isobutyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5R)-3-Acetyl-1-[(2E)-2-decenoyl]-4-hydroxy-5-isobutyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5R)-3-Acétyl-1-[(2E)-2-decenoyl]-4-hydroxy-5-isobutyl-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-(2-methylpropyl)-1-[(2E)-1-oxo-2-decen-1-yl]-, (5R)- [ACD/Index Name]
(5R)-1-[(E)-1-Oxo-2-decenyl]-3-acetyl-4-hydroxy-5-isobutyl-1H-pyrrole-2(5H)-one
303957-69-9 [RN]
reutericyclin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 475.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 241.1±28.7 °C
Index of Refraction: 1.518
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 118.41
ACD/KOC (pH 5.5): 537.22
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 9.27
Polar Surface Area: 75 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

Click to predict properties on the Chemicalize site


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