ChemSpider 2D Image | (6Z,9E)-3,7,11,11,14-Pentamethyl-16-oxatricyclo[11.2.1.0~1,5~]hexadeca-4,6,9,13-tetraene-8,15-dione | C20H24O3

(6Z,9E)-3,7,11,11,14-Pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione

  • Molecular FormulaC20H24O3
  • Average mass312.403 Da
  • Monoisotopic mass312.172546 Da
  • ChemSpider ID64884877

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9E)-3,7,11,11,14-Pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraen-8,15-dion [German] [ACD/IUPAC Name]
(6Z,9E)-3,7,11,11,14-Pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione [ACD/IUPAC Name]
(6Z,9E)-3,7,11,11,14-Pentaméthyl-16-oxatricyclo[11.2.1.01,5]hexadéca-4,6,9,13-tétraène-8,15-dione [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, (9E,12Z)- [ACD/Index Name]
29444-03-9 [RN]
jatrophone

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

C09120 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 507.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 223.8±30.2 °C
Index of Refraction: 1.561
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.26
ACD/KOC (pH 5.5): 2055.52
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.26
ACD/KOC (pH 7.4): 2055.52
Polar Surface Area: 43 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 275.3±5.0 cm3

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