ChemSpider 2D Image | Methyl 4-([2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy)-2-methoxy-6-pentylbenzoate | C29H38O8

Methyl 4-([2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy)-2-methoxy-6-pentylbenzoate

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID527885

More details:

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

2-Hydroxy-4-méthoxy-6-(2-oxoheptyl)benzoate de 3-méthoxy-4-(méthoxycarbonyl)-5-pentylphényle [French] [ACD/IUPAC Name]
3-Methoxy-4-(methoxycarbonyl)-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate [ACD/IUPAC Name]
3-Methoxy-4-(methoxycarbonyl)-5-pentylphenyl-2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxoheptyl)-, 3-methoxy-4-(methoxycarbonyl)-5-pentylphenyl ester [ACD/Index Name]
Methyl 4-([2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy)-2-methoxy-6-pentylbenzoate
19314-73-9 [RN]
4-[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid methyl ester
AC1LCV70
o-Anisic acid, 4-hydroxy-6-pentyl-, methyl ester, ester with 2-hydroxy-6-(2-oxoheptyl)-p-anisic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 662.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 210.8±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 476555.47
ACD/KOC (pH 5.5): 399595.13
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 128535.08
ACD/KOC (pH 7.4): 107777.57
Polar Surface Area: 108 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 452.0±3.0 cm3

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