ChemSpider 2D Image | 6,18-Dimethyl-12-methylene-10,14,28,31,34,37-hexaoxa-3,21-diazapentacyclo[36.3.1.1~23,27~.0~4,9~.0~15,20~]tritetraconta-1(42),4,6,8,15,17,19,23(43),24,26,38,40-dodecaene-2,22-dione | C38H40N2O8

6,18-Dimethyl-12-methylene-10,14,28,31,34,37-hexaoxa-3,21-diazapentacyclo[36.3.1.123,27.04,9.015,20]tritetraconta-1(42),4,6,8,15,17,19,23(43),24,26,38,40-dodecaene-2,22-dione

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID9279391

More details:

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

11,7:22,26-Dimetheno-26H,34H-dibenzo[r,y][1,4,7,10,20,24,17,27]hexaoxadiazacyclotritriacontine-6,27(5H,28H)-dione, 13,14,16,17,19,20,35,36-octahydro-3,30-dimethyl-35-methylene- [ACD/Index Name]
6,18-Dimethyl-12-methylen-10,14,28,31,34,37-hexaoxa-3,21-diazapentacyclo[36.3.1.123,27.04,9.015,20]tritetraconta-1(42),4,6,8,15,17,19,23(43),24,26,38,40-dodecaen-2,22-dion [German] [ACD/IUPAC Name]
6,18-Dimethyl-12-methylene-10,14,28,31,34,37-hexaoxa-3,21-diazapentacyclo[36.3.1.123,27.04,9.015,20]tritetraconta-1(42),4,6,8,15,17,19,23(43),24,26,38,40-dodecaene-2,22-dione [ACD/IUPAC Name]
6,18-Diméthyl-12-méthylène-10,14,28,31,34,37-hexaoxa-3,21-diazapentacyclo[36.3.1.123,27.04,9.015,20]tritétraconta-1(42),4,6,8,15,17,19,23(43),24,26,38,40-dodécaène-2,22-dione [French] [ACD/IUPAC 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: 711.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±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: 6.25
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16867.26
ACD/KOC (pH 5.5): 36923.73
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16867.10
ACD/KOC (pH 7.4): 36923.36
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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