Found 7 results

Search term: MF = 'C_{26}H_{31}BrO_{3}'
ChemSpider 2D Image | (2E)-3-{5-Bromo-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}-1-[4-(heptyloxy)phenyl]-2-propen-1-one | C26H31BrO3

(2E)-3-{5-Bromo-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}-1-[4-(heptyloxy)phenyl]-2-propen-1-one

  • Molecular FormulaC26H31BrO3
  • Average mass471.427 Da
  • Monoisotopic mass470.145660 Da
  • ChemSpider ID126666428

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{5-Brom-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}-1-[4-(heptyloxy)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-{5-Bromo-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}-1-[4-(heptyloxy)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-{5-Bromo-2-[(2-méthyl-2-propén-1-yl)oxy]phényl}-1-[4-(heptyloxy)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[5-bromo-2-[(2-methyl-2-propen-1-yl)oxy]phenyl]-1-[4-(heptyloxy)phenyl]-, (2E)- [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: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.7±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 9.82
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1216397.13
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1216397.13
Polar Surface Area: 36 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 397.5±3.0 cm3

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