ChemSpider 2D Image | (2E)-3-(1,3-Benzodioxol-5-yl)-1-(4-{2-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl)oxy]ethoxy}phenyl)-2-propen-1-one | C33H38O9

(2E)-3-(1,3-Benzodioxol-5-yl)-1-(4-{2-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl)oxy]ethoxy}phenyl)-2-propen-1-one

  • Molecular FormulaC33H38O9
  • Average mass578.649 Da
  • Monoisotopic mass578.251587 Da
  • ChemSpider ID24614549

  • 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

(2E)-3-(1,3-Benzodioxol-5-yl)-1-(4-{2-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl)oxy]ethoxy}phenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(1,3-Benzodioxol-5-yl)-1-(4-{2-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl)oxy]ethoxy}phenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(1,3-Benzodioxol-5-yl)-1-(4-{2-[(1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yl)oxy]éthoxy}phényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-[4-[2-[(decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl)oxy]ethoxy]phenyl]-, (2E)- [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: 695.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 290.1±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24758.83
ACD/KOC (pH 5.5): 48597.89
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24758.83
ACD/KOC (pH 7.4): 48597.89
Polar Surface Area: 91 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 438.2±5.0 cm3

Click to predict properties on the Chemicalize site


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