ChemSpider 2D Image | (3S,4R)-1-Hydroxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-pyrrolidinedione | C19H25NO4

(3S,4R)-1-Hydroxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-pyrrolidinedione

  • Molecular FormulaC19H25NO4
  • Average mass331.406 Da
  • Monoisotopic mass331.178345 Da
  • ChemSpider ID78436518

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-1-Hydroxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
(3S,4R)-1-Hydroxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-2,5-pyrrolidinedione [ACD/IUPAC Name]
(3S,4R)-1-Hydroxy-3-isobutyl-4-{4-[(3-méthyl-2-butén-1-yl)oxy]phényl}-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-hydroxy-3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-4-(2-methylpropyl)-, (3R,4S)- [ACD/Index Name]
3R*,4R*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 485.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 247.1±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.49
ACD/KOC (pH 5.5): 1215.19
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 94.71
ACD/KOC (pH 7.4): 802.14
Polar Surface Area: 67 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 288.4±3.0 cm3

Click to predict properties on the Chemicalize site


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