ChemSpider 2D Image | (3E)-5-(Hydroxymethyl)-3-(hydroxy{1,3,6-trimethyl-2-[(1E,3E)-1,3-pentadien-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}methylene)-1-methyl-2,4-pyrrolidinedione | C25H35NO4

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

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID28564117

  • 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,3E)-1,3-pentadién-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,3E)-1,3-pentadien-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,3E)-1,3-pentadien-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,3E)-1,3-pentadien-1-yl]-1-naphthalenyl]methylene]-1-methyl-, (3E)- [ACD/Index Name]
2,4-Pyrrolidinedione, 5-(hydroxymethyl)-3-[hydroxy[(1R,2S,4aR,6S,8aS)-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-2-(1E,3E)-1,3-pentadienyl-1-naphthalenyl]methylene]-1-methyl-, (3E,5R)-
207791-30-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 140.43
ACD/KOC (pH 5.5): 617.41
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 2.41
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 78 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 360.9±3.0 cm3

Click to predict properties on the Chemicalize site


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