ChemSpider 2D Image | 11-Methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.0~5,14~.0~7,12~]tetratriaconta-5(14),6,10,12-tetraen-9-one | C26H38N2O8

11-Methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.05,14.07,12]tetratriaconta-5(14),6,10,12-tetraen-9-one

  • Molecular FormulaC26H38N2O8
  • Average mass506.589 Da
  • Monoisotopic mass506.262817 Da
  • ChemSpider ID170453

More details:

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

11-Methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.05,14.07,12]tetratriaconta-5(14),6,10,12-tetraen-9-on [German] [ACD/IUPAC Name]
11-Methyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatetracyclo[16.8.8.05,14.07,12]tetratriaconta-5(14),6,10,12-tetraen-9-one [ACD/IUPAC Name]
11-Méthyl-4,8,15,21,24,29,32-heptaoxa-1,18-diazatétracyclo[16.8.8.05,14.07,12]tétratriaconta-5(14),6,10,12-tétraén-9-one [French] [ACD/IUPAC Name]
4,13-(Ethanooxyethanooxyethano)-2H,11H,19H-pyrano[2,3-s]-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecin-19-one, 3,5,6,8,9,12,14,15-octahydro-21-methyl- [ACD/Index Name]
124804-69-9 [RN]
6,7-(4-Methyl)coumaro-(2.2.2)cryptand
6,7-(4-METHYL)COUMARO-[2.2.2]CRYPTAND
6,7-Mcc

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.34
ACD/KOC (pH 7.4): 58.03
Polar Surface Area: 88 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 403.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement