ChemSpider 2D Image | 1-(Adamantan-1-yl)-1-oxo-2-propanyl 4-{[1-(adamantan-1-yl)-1-oxo-2-propanyl]oxy}benzoate | C33H42O5

1-(Adamantan-1-yl)-1-oxo-2-propanyl 4-{[1-(adamantan-1-yl)-1-oxo-2-propanyl]oxy}benzoate

  • Molecular FormulaC33H42O5
  • Average mass518.684 Da
  • Monoisotopic mass518.303223 Da
  • ChemSpider ID31064990

More details:

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

1-(Adamantan-1-yl)-1-oxo-2-propanyl 4-{[1-(adamantan-1-yl)-1-oxo-2-propanyl]oxy}benzoate [ACD/IUPAC Name]
1-(Adamantan-1-yl)-1-oxo-2-propanyl-4-{[1-(adamantan-1-yl)-1-oxo-2-propanyl]oxy}benzoat [German] [ACD/IUPAC Name]
4-{[1-(Adamantan-1-yl)-1-oxo-2-propanyl]oxy}benzoate de 1-(adamantan-1-yl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1-methyl-2-oxo-2-tricyclo[3.3.1.13,7]dec-1-ylethoxy)-, 1-methyl-2-oxo-2-tricyclo[3.3.1.13,7]dec-1-ylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64017.22
ACD/KOC (pH 5.5): 95924.23
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64017.22
ACD/KOC (pH 7.4): 95924.23
Polar Surface Area: 70 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 425.9±3.0 cm3

Click to predict properties on the Chemicalize site


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