ChemSpider 2D Image | (1S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecane | C17H28O5

(1S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

  • Molecular FormulaC17H28O5
  • Average mass312.401 Da
  • Monoisotopic mass312.193665 Da
  • ChemSpider ID30843343

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan [German] [ACD/IUPAC Name]
(1S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane [ACD/IUPAC Name]
(1S,5R,8S,9R,10S,12R,13R)-10-Éthoxy-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécane [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10-ethoxydecahydro-3,6,9-trimethyl-, (3S,6R,8aS,9R,10S,12R,12aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 372.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 146.0±27.8 °C
Index of Refraction: 1.516
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 320.07
ACD/KOC (pH 5.5): 2162.00
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 320.07
ACD/KOC (pH 7.4): 2162.00
Polar Surface Area: 46 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 268.8±5.0 cm3

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