ChemSpider 2D Image | 2,13-Di(2-pentanyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine | C30H44O6

2,13-Di(2-pentanyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID3238757

More details:

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

2,13-Di(2-pentanyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin [German] [ACD/IUPAC Name]
2,13-Di(2-pentanyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine [ACD/IUPAC Name]
2,13-Di(2-pentanyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécine [French] [ACD/IUPAC Name]
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-bis(1-methylbutyl)- [ACD/Index Name]
2,13-bis(methylbutyl)-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodiben zo[a,j][18]annulene
2,13-bis(methylbutyl)-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j][18]annulene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 596.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 224.9±30.0 °C
Index of Refraction: 1.492
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10715.61
ACD/KOC (pH 5.5): 26685.49
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10715.61
ACD/KOC (pH 7.4): 26685.49
Polar Surface Area: 55 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 491.4±3.0 cm3

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