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 palmitate | C35H54O6

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

  • Molecular FormulaC35H54O6
  • Average mass570.800 Da
  • Monoisotopic mass570.392029 Da
  • ChemSpider ID9932452

More details:

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

[8-Formyl-3,4-dihydro-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-2H-1-benzopyran-7-yl]methyl hexadecanoate
[8-Formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-3,4-dihydro-2H-chromen-7-yl]methyl palmitate [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]methylpalmitat [German] [ACD/IUPAC Name]
141996-36-3 [RN]
Hexadecanoic 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]
Palmitate 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 hexadecanoate
[8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]methyl hexadecanoate
8-Formyl-5-methoxy-2-methyl-2-(4'-methyl-2'-oxo-3'-pentenyl)-7-chromanylmethylplamitate
Hericenone F

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: 674.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 275.3±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 166.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 10.78
ACD/LogD (pH 5.5): 10.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 559.4±3.0 cm3

Click to predict properties on the Chemicalize site


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