ChemSpider 2D Image | (1S,4S,5S,7Z,11R,13R,15S)-4,15-Dibromo-3,3,7,11,15-pentamethyl-16-oxatetracyclo[11.2.1.0~1,5~.0~9,13~]hexadeca-7,9-diene-6,14-dione | C20H24Br2O3

(1S,4S,5S,7Z,11R,13R,15S)-4,15-Dibromo-3,3,7,11,15-pentamethyl-16-oxatetracyclo[11.2.1.01,5.09,13]hexadeca-7,9-diene-6,14-dione

  • Molecular FormulaC20H24Br2O3
  • Average mass472.211 Da
  • Monoisotopic mass470.009216 Da
  • ChemSpider ID30830526

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4S,5S,7Z,11R,13R,15S)-4,15-Dibrom-3,3,7,11,15-pentamethyl-16-oxatetracyclo[11.2.1.01,5.09,13]hexadeca-7,9-dien-6,14-dion [German] [ACD/IUPAC Name]
(1S,4S,5S,7Z,11R,13R,15S)-4,15-Dibromo-3,3,7,11,15-pentamethyl-16-oxatetracyclo[11.2.1.01,5.09,13]hexadeca-7,9-diene-6,14-dione [ACD/IUPAC Name]
(1S,4S,5S,7Z,11R,13R,15S)-4,15-Dibromo-3,3,7,11,15-pentaméthyl-16-oxatétracyclo[11.2.1.01,5.09,13]hexadéca-7,9-diène-6,14-dione [French] [ACD/IUPAC Name]
3a,5a-Epoxy-1H-dicyclopenta[a,e]cyclononene-5,11(4H,11aH)-dione, 1,4-dibromo-2,3,6,7-tetrahydro-2,2,4,7,10-pentamethyl-, (1S,3aS,4S,5aR,7R,9Z,11aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 554.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 943.11
ACD/KOC (pH 5.5): 4685.90
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 943.11
ACD/KOC (pH 7.4): 4685.90
Polar Surface Area: 43 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 298.7±5.0 cm3

Click to predict properties on the Chemicalize site


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