ChemSpider 2D Image | 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)methanone | C33H38O11

2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)methanone

  • Molecular FormulaC33H38O11
  • Average mass610.648 Da
  • Monoisotopic mass610.241394 Da
  • ChemSpider ID4208119

More details:

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

2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)methanon [German] [ACD/IUPAC Name]
2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)methanone [ACD/IUPAC Name]
2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotétraoxacyclododécin-12-yl(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécin-2-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, (2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)- [ACD/Index Name]
1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulen-12-yl 5,6,7,8,9,10,11,16,17, 18,19,20,21,22-tetradecahydrodibenzo[a,j][18]annulen-2-yl ketone
1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulen-12-yl 5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j][18]annulen-2-yl ketone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 769.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 317.8±32.9 °C
Index of Refraction: 1.519
Molar Refractivity: 157.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.68
ACD/KOC (pH 5.5): 458.63
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.68
ACD/KOC (pH 7.4): 458.63
Polar Surface Area: 109 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 520.7±3.0 cm3

Click to predict properties on the Chemicalize site


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