ChemSpider 2D Image | 1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl {4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenoxy}acetate | C33H38O9

1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl {4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenoxy}acetate

  • Molecular FormulaC33H38O9
  • Average mass578.649 Da
  • Monoisotopic mass578.251587 Da
  • ChemSpider ID24621097

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

{4-[(2E)-3-(4-Méthoxyphényl)-2-propenoyl]phénoxy}acétate de 1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yle [French] [ACD/IUPAC Name]
1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl {4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenoxy}acetate [ACD/IUPAC Name]
1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl-{4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]phenoxy}acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]phenoxy]-, decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 288.1±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24387.46
ACD/KOC (pH 5.5): 48074.98
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24387.46
ACD/KOC (pH 7.4): 48074.98
Polar Surface Area: 99 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 448.3±5.0 cm3

Click to predict properties on the Chemicalize site


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