ChemSpider 2D Image | (5-Methoxy-1,2,6-trimethyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)vinyl]benzoate | C37H41NO5

(5-Methoxy-1,2,6-trimethyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)vinyl]benzoate

  • Molecular FormulaC37H41NO5
  • Average mass579.725 Da
  • Monoisotopic mass579.298462 Da
  • ChemSpider ID34238957

More details:

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

(5-Methoxy-1,2,6-trimethyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)vinyl]benzoate [ACD/IUPAC Name]
(5-Methoxy-1,2,6-trimethyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)methyl-4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalinyl)vinyl]benzoat [German] [ACD/IUPAC Name]
4-[1-(3,5,5,8,8-Pentaméthyl-5,6,7,8-tétrahydro-2-naphtalényl)vinyl]benzoate de (5-méthoxy-1,2,6-triméthyl-4,7-dioxo-4,7-dihydro-1H-indol-3-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-, (4,7-dihydro-5-methoxy-1,2,6-trimethyl-4,7-dioxo-1H-indol-3-yl)methyl ester [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: 744.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.1±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 168.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.45
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1350861.88
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1350861.88
Polar Surface Area: 75 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 502.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement