ChemSpider 2D Image | (1S,2R,5R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0~2,6~]undec-7-yl (2E)-3-phenylacrylate | C26H34O6

(1S,2R,5R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl (2E)-3-phenylacrylate

  • Molecular FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID74176577

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,2R,5R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(1S,2R,5R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1S,2R,5R,7S,8R,10R)-10-(2-hydroxyacétoxy)-8-isopropyl-1,5-diméthyl-11-oxatricyclo[6.2.1.02,6]undéc-7-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (1R,3aR,4S,5R,7R,8S)-decahydro-5-[(2-hydroxyacetyl)oxy]-1,4-dimethyl-7-(1-methylethyl)-4,7-epoxyazulen-8-yl ester, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 178.8±23.6 °C
Index of Refraction: 1.568
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 819.03
ACD/KOC (pH 5.5): 4235.87
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 819.03
ACD/KOC (pH 7.4): 4235.85
Polar Surface Area: 82 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

Click to predict properties on the Chemicalize site


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