ChemSpider 2D Image | 3,4,9,10,15,16-Hexamethyl-6,12,18-tripentyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | C33H57N3O9

3,4,9,10,15,16-Hexamethyl-6,12,18-tripentyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

  • Molecular FormulaC33H57N3O9
  • Average mass639.820 Da
  • Monoisotopic mass639.409485 Da
  • ChemSpider ID78444141

More details:






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

1,7,13-Trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, 3,4,9,10,15,16-hexamethyl-6,12,18-tripentyl- [ACD/Index Name]
3,4,9,10,15,16-Hexamethyl-6,12,18-tripentyl-1,7,13-trioxa-4,10,16-triazacyclooctadecan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
3,4,9,10,15,16-Hexamethyl-6,12,18-tripentyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
3,4,9,10,15,16-Hexaméthyl-6,12,18-tripentyl-1,7,13-trioxa-4,10,16-triazacyclooctadécane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
Verticilide B1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 468.9±34.3 °C
Index of Refraction: 1.454
Molar Refractivity: 169.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1975.61
ACD/KOC (pH 5.5): 7955.35
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1975.61
ACD/KOC (pH 7.4): 7955.35
Polar Surface Area: 140 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 625.8±3.0 cm3

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