ChemSpider 2D Image | (3E)-5-(Hydroxymethyl)-3-(hydroxy{1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}methylene)-1-methyl-2,4-pyrrolidinedione | C23H33NO4

(3E)-5-(Hydroxymethyl)-3-(hydroxy{1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}methylene)-1-methyl-2,4-pyrrolidinedione

  • Molecular FormulaC23H33NO4
  • Average mass387.512 Da
  • Monoisotopic mass387.240967 Da
  • ChemSpider ID78444010

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-5-(Hydroxyméthyl)-3-(hydroxy{1,3,6-triméthyl-2-[(1E)-1-propén-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl}méthylène)-1-méthyl-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
(3E)-5-(Hydroxymethyl)-3-(hydroxy{1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}methylene)-1-methyl-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3E)-5-(Hydroxymethyl)-3-(hydroxy{1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl}methylen)-1-methyl-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 5-(hydroxymethyl)-3-[hydroxy[1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1-naphthalenyl]methylene]-1-methyl-, (3E)- [ACD/Index Name]
CJ-21,058

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 294.1±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 110.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 48.66
ACD/KOC (pH 5.5): 289.12
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.95
Polar Surface Area: 78 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

Click to predict properties on the Chemicalize site


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