ChemSpider 2D Image | 4-{(2Z)-2-[3-(4-Acetoxyphenyl)-1,13-dioxo-2-oxatrispiro[4.0.5~6~.2.5~14~.0~5~]nonadec-3-en-12-ylidene]acetyl}phenyl acetate | C36H36O8

4-{(2Z)-2-[3-(4-Acetoxyphenyl)-1,13-dioxo-2-oxatrispiro[4.0.56.2.514.05]nonadec-3-en-12-ylidene]acetyl}phenyl acetate

  • Molecular FormulaC36H36O8
  • Average mass596.666 Da
  • Monoisotopic mass596.241028 Da
  • ChemSpider ID4521792

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Oxatrispiro[4.0.5.2.5.0]nonadec-3-ene-1,12-dione, 3-[4-(acetyloxy)phenyl]-13-[2-[4-(acetyloxy)phenyl]-2-oxoethylidene]-, (13Z)- [ACD/Index Name]
4-{(2Z)-2-[3-(4-Acetoxyphenyl)-1,13-dioxo-2-oxatrispiro[4.0.56.2.514.05]nonadec-3-en-12-yliden]acetyl}phenyl-acetat [German] [ACD/IUPAC Name]
4-{(2Z)-2-[3-(4-Acetoxyphenyl)-1,13-dioxo-2-oxatrispiro[4.0.56.2.514.05]nonadec-3-en-12-ylidene]acetyl}phenyl acetate [ACD/IUPAC Name]
Acétate de 4-{(2Z)-2-[3-(4-acétoxyphényl)-1,13-dioxo-2-oxatrispiro[4.0.56.2.514.05]nonadéc-3-én-12-ylidène]acétyl}phényle [French] [ACD/IUPAC Name]
2-Oxatrispiro[4.0.5.2.5.0]nonadec-3-ene-1,12-dione, 13-(Z)-(4-acetoxybenzoylmethylene)-3-(4-acetoxyphenyl)-
4-((2Z)-2-(3-[4-(Acetyloxy)phenyl]-1,13-dioxo-2-oxatrispiro[4.0.5.2.5.0]nonadec-3-en-12-ylidene)ethanoyl)phenyl acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 809.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 333.3±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23182.87
ACD/KOC (pH 5.5): 46363.05
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23182.87
ACD/KOC (pH 7.4): 46363.05
Polar Surface Area: 113 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 452.8±5.0 cm3

Click to predict properties on the Chemicalize site


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