ChemSpider 2D Image | (1S,6R,9S,10R)-2,2,6-Trimethyl-5-oxo-7,8-dioxatricyclo[7.3.1.0~1,6~]tridec-10-yl acetate | C16H24O5

(1S,6R,9S,10R)-2,2,6-Trimethyl-5-oxo-7,8-dioxatricyclo[7.3.1.01,6]tridec-10-yl acetate

  • Molecular FormulaC16H24O5
  • Average mass296.359 Da
  • Monoisotopic mass296.162384 Da
  • ChemSpider ID29214401

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,6R,9S,10R)-2,2,6-Trimethyl-5-oxo-7,8-dioxatricyclo[7.3.1.01,6]tridec-10-yl acetate [ACD/IUPAC Name]
(1S,6R,9S,10R)-2,2,6-Trimethyl-5-oxo-7,8-dioxatricyclo[7.3.1.01,6]tridec-10-yl-acetat [German] [ACD/IUPAC Name]
7H-3,6a-Methano-1,2-benzodioxocin-10(10aH)-one, 4-(acetyloxy)hexahydro-7,7,10a-trimethyl-, (3S,4R,6aS,10aR)- [ACD/Index Name]
Acétate de (1S,6R,9S,10R)-2,2,6-triméthyl-5-oxo-7,8-dioxatricyclo[7.3.1.01,6]tridéc-10-yle [French] [ACD/IUPAC Name]
talaperoxide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 364.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 157.3±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.85
ACD/KOC (pH 5.5): 712.28
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.85
ACD/KOC (pH 7.4): 712.28
Polar Surface Area: 62 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 250.9±5.0 cm3

Click to predict properties on the Chemicalize site


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