ChemSpider 2D Image | (1S,5E,7E)-8-Isopropyl-1,5-dimethyl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,4,16-trione | C20H26O4

(1S,5E,7E)-8-Isopropyl-1,5-dimethyl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,4,16-trione

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID35517129

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S,5E,7E)-8-Isopropyl-1,5-dimethyl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-trien-2,4,16-trion [German] [ACD/IUPAC Name]
(1S,5E,7E)-8-Isopropyl-1,5-dimethyl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,4,16-trione [ACD/IUPAC Name]
(1S,5E,7E)-8-Isopropyl-1,5-diméthyl-15-oxabicyclo[9.3.2]hexadéca-5,7,11-triène-2,4,16-trione [French] [ACD/IUPAC Name]
15-Oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,4,16-trione, 1,5-dimethyl-8-(1-methylethyl)-, (1S,5E,7E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 237.2±30.2 °C
Index of Refraction: 1.529
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.18
ACD/KOC (pH 5.5): 2023.40
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 228.55
ACD/KOC (pH 7.4): 1582.74
Polar Surface Area: 60 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

Click to predict properties on the Chemicalize site


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