ChemSpider 2D Image | 20-[(1E)-1-Penten-1-yl]-24-propyl-4,9,16,22-tetraoxatetracyclo[16.5.1.0~2,6~.0~19,23~]tetracosa-1(23),2(6),19-triene-3,5,8,17,21-pentone | C28H32O9

20-[(1E)-1-Penten-1-yl]-24-propyl-4,9,16,22-tetraoxatetracyclo[16.5.1.02,6.019,23]tetracosa-1(23),2(6),19-triene-3,5,8,17,21-pentone

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID9014768

  • Double-bond stereo - Double-bond stereo

More details:

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

20-[(1E)-1-Penten-1-yl]-24-propyl-4,9,16,22-tetraoxatetracyclo[16.5.1.02,6.019,23]tetracosa-1(23),2(6),19-trien-3,5,8,17,21-penton [German] [ACD/IUPAC Name]
20-[(1E)-1-Penten-1-yl]-24-propyl-4,9,16,22-tetraoxatetracyclo[16.5.1.02,6.019,23]tetracosa-1(23),2(6),19-triene-3,5,8,17,21-pentone [ACD/IUPAC Name]
20-[(1E)-1-Pentén-1-yl]-24-propyl-4,9,16,22-tétraoxatétracyclo[16.5.1.02,6.019,23]tétracosa-1(23),2(6),19-triène-3,5,8,17,21-pentone [French] [ACD/IUPAC Name]
4,19-Methano-2H-difuro[3,2-k:3',4'-n][1,8]dioxacycloheptadecin-2,5,14,16,18(4H,15H)-pentone, 7,8,9,10,11,12-hexahydro-3-[(1E)-1-penten-1-yl]-20-propyl- [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: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 332.1±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.40
ACD/KOC (pH 5.5): 1490.69
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.40
ACD/KOC (pH 7.4): 1490.69
Polar Surface Area: 122 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 393.6±5.0 cm3

Click to predict properties on the Chemicalize site


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