ChemSpider 2D Image | [8-Formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-3,4-dihydro-2H-chromen-7-yl]methyl stearate | C37H58O6

[8-Formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-3,4-dihydro-2H-chromen-7-yl]methyl stearate

  • Molecular FormulaC37H58O6
  • Average mass598.853 Da
  • Monoisotopic mass598.423340 Da
  • ChemSpider ID8524003

More details:

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

[8-Formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-3,4-dihydro-2H-chromen-7-yl]methyl stearate [ACD/IUPAC Name]
[8-Formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-3,4-dihydro-2H-chromen-7-yl]methylstearat [German] [ACD/IUPAC Name]
141973-36-6 [RN]
Octadecanoic acid, [8-formyl-3,4-dihydro-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-2H-1-benzopyran-7-yl]methyl ester [ACD/Index Name]
Octadecanoic acid, [8-formyl-3,4-dihydro-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-pentenyl)-2H-1-benzopyran-7-yl]methyl ester
Stéarate de [8-formyl-5-méthoxy-2-méthyl-2-(4-méthyl-2-oxo-3-pentén-1-yl)-3,4-dihydro-2H-chromén-7-yl]méthyle [French] [ACD/IUPAC Name]
[8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-1-benzopyran-7-yl]methyl octadecanoate
[8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]methyl octadecanoate
8-Formyl-5-methoxy-2-methyl-2-(4'-methyl-2'-oxo-3'-pentenyl)-7-chromanylmethylstrate
Hericenone G

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 280.5±31.5 °C
Index of Refraction: 1.506
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 11.85
ACD/LogD (pH 5.5): 11.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 592.4±3.0 cm3

Click to predict properties on the Chemicalize site


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