ChemSpider 2D Image | 4-Acetoxy-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1-naphthyl benzoate | C40H54O4

4-Acetoxy-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1-naphthyl benzoate

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID9988678
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,4-Naphthalenediol, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-, 4-acetate 1-benzoate [ACD/Index Name]
4-Acetoxy-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1-naphthyl benzoate [ACD/IUPAC Name]
4-Acetoxy-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1-naphthyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 4-acétoxy-2-méthyl-3-[(2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]-1-naphtyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 344.3±29.9 °C
Index of Refraction: 1.543
Molar Refractivity: 184.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 14.22
ACD/LogD (pH 5.5): 12.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 585.4±3.0 cm3

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