ChemSpider 2D Image | (2S)-2-Methylbutyl 4'-[(4-{[6-(acryloyloxy)hexyl]oxy}benzoyl)oxy]-4-biphenylcarboxylate | C34H38O7

(2S)-2-Methylbutyl 4'-[(4-{[6-(acryloyloxy)hexyl]oxy}benzoyl)oxy]-4-biphenylcarboxylate

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID57583162

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methylbutyl 4'-[(4-{[6-(acryloyloxy)hexyl]oxy}benzoyl)oxy]-4-biphenylcarboxylate [ACD/IUPAC Name]
(2S)-2-Methylbutyl-4'-[(4-{[6-(acryloyloxy)hexyl]oxy}benzoyl)oxy]-4-biphenylcarboxylat [German] [ACD/IUPAC Name]
4'-[(4-{[6-(Acryloyloxy)hexyl]oxy}benzoyl)oxy]-4-biphénylcarboxylate de (2S)-2-méthylbutyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4'-[[(2S)-2-methylbutoxy]carbonyl][1,1'-biphenyl]-4-yl ester [ACD/Index Name]
(S)?-4'-?[[4-?[[6-?[(1-?oxo-?2-?propenyl)?oxy]?hexyl]?oxy]?benzoyl]?oxy]?-[1,?1'-?Biphenyl]?-?4-?carboxylic acid 2-?methylbutyl ester
(S)-2-Methylbutyl 4'-((4-((6-(acryloyloxy)hexyl)oxy)benzoyl)oxy)-[1,1'-biphenyl]-4-carboxylate
112232-94-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 282.6±31.5 °C
Index of Refraction: 1.549
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 560981.56
ACD/KOC (pH 5.5): 453594.94
ACD/LogD (pH 7.4): 7.87
ACD/BCF (pH 7.4): 560981.56
ACD/KOC (pH 7.4): 453594.94
Polar Surface Area: 88 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 497.1±3.0 cm3

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