ChemSpider 2D Image | 6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-trimethyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontan-2,5,8,11,14,17,20,23,26,29,32,35-dodecon | C54H90N6O18

6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-trimethyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontan-2,5,8,11,14,17,20,23,26,29,32,35-dodecon

  • Molecular FormulaC54H90N6O18
  • Average mass1111.322 Da
  • Monoisotopic mass1110.631104 Da
  • ChemSpider ID10607806

More details:

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

1,4,10,16,22,28-Hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 3,15,27-trimethyl-6,9,12,18,21,24,30,33,36-nonakis(1-methylethyl)- [ACD/Index Name]
2001-95-8 [RN]
217-896-6 [EINECS]
3,15,27-trimethyl-6,9,12,18,21,24,30,33,36-nona(propan-2-yl)-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-trimethyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontan-2,5,8,11,14,17,20,23,26,29,32,35-dodecon
6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-trimethyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontan-2,5,8,11,14,17,20,23,26,29,32,35-dodecon [German] [ACD/IUPAC Name]
6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-trimethyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone [ACD/IUPAC Name]
6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-triméthyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodécone
6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-triméthyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodécone [French] [ACD/IUPAC Name]
6,9,12,18,21,24,30,33,36-Nonaisopropyl-3,15,27-trimethyl-1,4,10,16,22,28-hexaoxa-7,13,19,25,31,34-hexaaza-cyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecaone(Valinomycin)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1321.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 199.8±3.0 kJ/mol
Flash Point: 753.1±34.3 °C
Index of Refraction: 1.449
Molar Refractivity: 280.9±0.3 cm3
#H bond acceptors: 24
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.72
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 36.03
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 36.03
Polar Surface Area: 332 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 1048.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement