ChemSpider 2D Image | 4-Hydroxy-2-methyl-5-[(14E)-14-nonadecen-1-yl]-3,6-dioxo-1,4-cyclohexadien-1-yl acetate | C28H44O5

4-Hydroxy-2-methyl-5-[(14E)-14-nonadecen-1-yl]-3,6-dioxo-1,4-cyclohexadien-1-yl acetate

  • Molecular FormulaC28H44O5
  • Average mass460.646 Da
  • Monoisotopic mass460.318878 Da
  • ChemSpider ID21390715

  • Double-bond stereo - Double-bond stereo

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-(acetyloxy)-5-hydroxy-3-methyl-6-[(14E)-14-nonadecen-1-yl]- [ACD/Index Name]
4-Hydroxy-2-methyl-5-[(14E)-14-nonadecen-1-yl]-3,6-dioxo-1,4-cyclohexadien-1-yl acetate [ACD/IUPAC Name]
4-Hydroxy-2-methyl-5-[(14E)-14-nonadecen-1-yl]-3,6-dioxo-1,4-cyclohexadien-1-yl-acetat [German] [ACD/IUPAC Name]
4-Hydroxy-2-methyl-5-[(14E)-nonadec-14-en-1-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl acetate
Acétate de 4-hydroxy-2-méthyl-5-[(14E)-14-nonadécén-1-yl]-3,6-dioxo-1,4-cyclohexadién-1-yle [French] [ACD/IUPAC Name]
887594-38-9 [RN]
Acetic acid 4-hydroxy-2-methyl-5-((E)-nonadec-14-e
Acetic acid 4-hydroxy-2-methyl-5-((E)-nonadec-14-enyl)-3,6-dioxo-cyclohexa-1,4-dienyl ester
Acetic acid-4-hydroxy-2-methyl-5-((E)-nonadec-14-
Acetic acid-4-hydroxy-2-methyl-5-((E)-nonadec-14-enyl)-3,6-dioxo-cyclohexa-1,4-dienyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 563.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 173.8±23.6 °C
Index of Refraction: 1.510
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 10.49
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 7446.90
ACD/KOC (pH 5.5): 3729.36
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 1039.10
ACD/KOC (pH 7.4): 520.38
Polar Surface Area: 81 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 441.5±5.0 cm3

Click to predict properties on the Chemicalize site


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