ChemSpider 2D Image | (4S,5R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-9-ene | C15H22O4

(4S,5R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID23189197

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(4S,5R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en [German] [ACD/IUPAC Name]
(4S,5R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene [ACD/IUPAC Name]
(4S,5R)-1,5,9-Triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-9-ène [French] [ACD/IUPAC Name]
(5aS,6R)-3,6,9-trimethyl-3,4,5,5a,6,7,8,8a-octahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 3,4,5,5a,6,7,8,8a-octahydro-3,6,9-trimethyl-, (5aS,6R)- [ACD/Index Name]
(4S,5R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene
Artemisinin analogue

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

Density: 1.2±0.1 g/cm3
Boiling Point: 348.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 140.0±27.8 °C
Index of Refraction: 1.542
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.02
ACD/KOC (pH 5.5): 1045.68
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.02
ACD/KOC (pH 7.4): 1045.68
Polar Surface Area: 37 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 222.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement