Found 16 results

Search term: MF = 'C_{35}H_{51}NO_{4}'
ChemSpider 2D Image | Butyl 2-cyano-3,11-dioxours-12-en-24-oate | C35H51NO4

Butyl 2-cyano-3,11-dioxours-12-en-24-oate

  • Molecular FormulaC35H51NO4
  • Average mass549.784 Da
  • Monoisotopic mass549.381836 Da
  • ChemSpider ID26345643

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2-Cyano-3,11-dioxours-12-én-24-oate de butyle [French] [ACD/IUPAC Name]
Butyl 2-cyano-3,11-dioxours-12-en-24-oate [ACD/IUPAC Name]
Butyl-2-cyan-3,11-dioxours-12-en-24-oat [German] [ACD/IUPAC Name]
Urs-12-en-24-oic acid, 2-cyano-3,11-dioxo-, butyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 272.0±21.7 °C
Index of Refraction: 1.541
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.49
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 84 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 494.6±5.0 cm3

Click to predict properties on the Chemicalize site


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