ChemSpider 2D Image | (1R,3S,4S,6R,7S,8S)-3-(Chloromethyl)-8-ethoxy-6-hydroxy-10-methylene-2,9-dioxatricyclo[4.3.1.0~3,7~]dec-4-yl acetate | C14H19ClO6

(1R,3S,4S,6R,7S,8S)-3-(Chloromethyl)-8-ethoxy-6-hydroxy-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]dec-4-yl acetate

  • Molecular FormulaC14H19ClO6
  • Average mass318.750 Da
  • Monoisotopic mass318.087006 Da
  • ChemSpider ID26363701

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3S,4S,6R,7S,8S)-3-(Chlormethyl)-8-ethoxy-6-hydroxy-10-methylen-2,9-dioxatricyclo[4.3.1.03,7]dec-4-yl-acetat [German] [ACD/IUPAC Name]
(1R,3S,4S,6R,7S,8S)-3-(Chloromethyl)-8-ethoxy-6-hydroxy-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]dec-4-yl acetate [ACD/IUPAC Name]
2,5-Methanocyclopenta[d]-1,3-dioxin-5,7(4H)-diol, 7a-(chloromethyl)-4-ethoxytetrahydro-8-methylene-, 7-acetate, (2R,4S,4aS,5R,7S,7aS)- [ACD/Index Name]
Acétate de (1R,3S,4S,6R,7S,8S)-3-(chlorométhyl)-8-éthoxy-6-hydroxy-10-méthylène-2,9-dioxatricyclo[4.3.1.03,7]déc-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 436.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 218.0±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.99
ACD/KOC (pH 5.5): 167.60
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 8.99
ACD/KOC (pH 7.4): 167.60
Polar Surface Area: 74 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 232.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement