ChemSpider 2D Image | (3Z,5Z)-5-(4-Hydroxybenzylidene)-3-[(2S,4S,6E)-1-hydroxy-2,4-dimethyl-6-octen-1-ylidene]-2,4-pyrrolidinedione | C21H25NO4

(3Z,5Z)-5-(4-Hydroxybenzylidene)-3-[(2S,4S,6E)-1-hydroxy-2,4-dimethyl-6-octen-1-ylidene]-2,4-pyrrolidinedione

  • Molecular FormulaC21H25NO4
  • Average mass355.427 Da
  • Monoisotopic mass355.178345 Da
  • ChemSpider ID35517108

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3Z,5Z)-5-(4-Hydroxybenzyliden)-3-[(2S,4S,6E)-1-hydroxy-2,4-dimethyl-6-octen-1-yliden]-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3Z,5Z)-5-(4-Hydroxybenzylidene)-3-[(2S,4S,6E)-1-hydroxy-2,4-dimethyl-6-octen-1-ylidene]-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3Z,5Z)-5-(4-Hydroxybenzylidène)-3-[(2S,4S,6E)-1-hydroxy-2,4-diméthyl-6-octén-1-ylidène]-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-[(2S,4S,6E)-1-hydroxy-2,4-dimethyl-6-octen-1-ylidene]-5-[(4-hydroxyphenyl)methylene]-, (3Z,5Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 607.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.2±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 10.62
ACD/KOC (pH 5.5): 81.88
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 87 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 293.3±3.0 cm3

Click to predict properties on the Chemicalize site


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