ChemSpider 2D Image | compound 14 [PMID: 25050158] | C18H24O4

compound 14 [PMID: 25050158]

  • Molecular FormulaC18H24O4
  • Average mass304.381 Da
  • Monoisotopic mass304.167450 Da
  • ChemSpider ID35033224

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-2-oxo-3-butenoic acid [ACD/IUPAC Name]
(3E)-4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-2-oxo-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-oxo-, (3E)- [ACD/Index Name]
Acide (3E)-4-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-2-oxo-3-buténoïque [French] [ACD/IUPAC Name]
compound 14 [PMID: 25050158]
(3E)-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoic acid
(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoic acid
(E)-GABAB receptor antagonist 1
1611483-29-4 [RN]
797-17-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 404.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 212.4±23.0 °C
Index of Refraction: 1.557
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 270.5±3.0 cm3

Click to predict properties on the Chemicalize site


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