ChemSpider 2D Image | (1S,4S,5R,8S,12S,13R)-1,5-Dimethyl-9-methylene-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-one | C15H20O5

(1S,4S,5R,8S,12S,13R)-1,5-Dimethyl-9-methylene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID129308694

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,4S,5R,8S,12S,13R)-1,5-Dimethyl-9-methylen-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-on [German] [ACD/IUPAC Name]
(1S,4S,5R,8S,12S,13R)-1,5-Dimethyl-9-methylene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one [ACD/IUPAC Name]
(1S,4S,5R,8S,12S,13R)-1,5-Diméthyl-9-méthylène-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécan-10-one [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6-dimethyl-9-methylene-, (3S,5aS,6R,8aS,12S,12aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 185.9±28.8 °C
Index of Refraction: 1.545
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 93.19
ACD/KOC (pH 5.5): 893.93
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.19
ACD/KOC (pH 7.4): 893.93
Polar Surface Area: 54 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 221.0±5.0 cm3

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