ChemSpider 2D Image | [8-Formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxo-3-penten-1-yl)-3,4-dihydro-2H-chromen-7-yl]methyl palmitate | C35H54O7

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

  • Molecular FormulaC35H54O7
  • Average mass586.799 Da
  • Monoisotopic mass586.386963 Da
  • ChemSpider ID24686269

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[8-Formyl-3-hydroxy-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-3-hydroxy-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]
Hexadecanoic acid, [8-formyl-3,4-dihydro-3-hydroxy-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-3-hydroxy-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]
3-hydroxyhericenone F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 211.0±26.4 °C
Index of Refraction: 1.517
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 9.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3643619.25
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3643615.25
Polar Surface Area: 99 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 556.4±3.0 cm3

Click to predict properties on the Chemicalize site


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