ChemSpider 2D Image | (1R,5R,13R,15S)-10-Chloro-15-formyl-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl acetate | C18H23ClO6

(1R,5R,13R,15S)-10-Chloro-15-formyl-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl acetate

  • Molecular FormulaC18H23ClO6
  • Average mass370.825 Da
  • Monoisotopic mass370.118317 Da
  • ChemSpider ID13107335

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5R,13R,15S)-10-Chlor-15-formyl-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl-acetat [German] [ACD/IUPAC Name]
(1R,5R,13R,15S)-10-Chloro-15-formyl-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl acetate [ACD/IUPAC Name]
2,14-Dioxabicyclo[11.2.1]hexadeca-6,9-diene-15-carboxaldehyde, 5-(acetyloxy)-10-chloro-6-methyl-3-oxo-, (1R,5R,13R,15S)- [ACD/Index Name]
Acétate de (1R,5R,13R,15S)-10-chloro-15-formyl-6-méthyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadéca-6,9-dién-5-yle [French] [ACD/IUPAC 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: 536.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 199.5±29.1 °C
Index of Refraction: 1.527
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 93.11
ACD/KOC (pH 5.5): 893.38
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.11
ACD/KOC (pH 7.4): 893.38
Polar Surface Area: 79 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 296.9±5.0 cm3

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