ChemSpider 2D Image | 6,18-Dimethyl-12-methylene-10,14,27,30,33,36-hexaoxa-3,21-diazapentacyclo[35.2.2.2~23,26~.0~4,9~.0~15,20~]tritetraconta-1(39),4,6,8,15,17,19,23,25,37,40,42-dodecaene-2,22-dione | C38H40N2O8

6,18-Dimethyl-12-methylene-10,14,27,30,33,36-hexaoxa-3,21-diazapentacyclo[35.2.2.223,26.04,9.015,20]tritetraconta-1(39),4,6,8,15,17,19,23,25,37,40,42-dodecaene-2,22-dione

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID9988992

More details:

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

6,18-Dimethyl-12-methylen-10,14,27,30,33,36-hexaoxa-3,21-diazapentacyclo[35.2.2.223,26.04,9.015,20]tritetraconta-1(39),4,6,8,15,17,19,23,25,37,40,42-dodecaen-2,22-dion [German] [ACD/IUPAC Name]
6,18-Dimethyl-12-methylene-10,14,27,30,33,36-hexaoxa-3,21-diazapentacyclo[35.2.2.223,26.04,9.015,20]tritetraconta-1(39),4,6,8,15,17,19,23,25,37,40,42-dodecaene-2,22-dione [ACD/IUPAC Name]
6,18-Diméthyl-12-méthylène-10,14,27,30,33,36-hexaoxa-3,21-diazapentacyclo[35.2.2.223,26.04,9.015,20]tritétraconta-1(39),4,6,8,15,17,19,23,25,37,40,42-dodécaène-2,22-dione [French] [ACD/IUPAC Name]
7,10:21,24-Dietheno-32H-dibenzo[q,x][1,4,7,10,19,23,16,26]hexaoxadiazacyclohentriacontine-6,25(5H,26H)-dione, 12,13,15,16,18,19,33,34-octahydro-3,28-dimethyl-33-methylene- [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: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 181.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 16920.70
ACD/KOC (pH 5.5): 37007.46
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 16920.63
ACD/KOC (pH 7.4): 37007.30
Polar Surface Area: 114 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 512.8±5.0 cm3

Click to predict properties on the Chemicalize site


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