ChemSpider 2D Image | (4Z)-6-{2-[2-(4-Bromophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexenoic acid | C24H28BrNO5

(4Z)-6-{2-[2-(4-Bromophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexenoic acid

  • Molecular FormulaC24H28BrNO5
  • Average mass490.387 Da
  • Monoisotopic mass489.115082 Da
  • ChemSpider ID23231259
  • Double-bond stereo - Double-bond stereo


More details:






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

(4Z)-6-{2-[2-(4-Bromophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexenoic acid [ACD/IUPAC Name]
(4Z)-6-{2-[2-(4-bromophenoxy)propan-2-yl]-4-(pyridin-3-yl)-1,3-dioxan-5-yl}hex-4-enoic acid
(4Z)-6-{2-[2-(4-Bromphenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[2-[1-(4-bromophenoxy)-1-methylethyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl]-, (4Z)- [ACD/Index Name]
Acide (4Z)-6-{2-[2-(4-bromophénoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexénoïque [French] [ACD/IUPAC Name]
(Z)-6-{2-[1-(4-Bromo-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.3±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 155.41
ACD/KOC (pH 5.5): 664.63
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 11.78
Polar Surface Area: 78 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 372.1±3.0 cm3

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