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

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

  • Molecular FormulaC54H90N6O18
  • Average mass1111.322 Da
  • Monoisotopic mass1110.631104 Da
  • ChemSpider ID5447

More details:

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

1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nonakis(1-methylethyl)- [ACD/Index Name]
3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontan-2,5,8,11,14,17,20,23,26,29,32,35-dodecon [German] [ACD/IUPAC Name]
3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone [ACD/IUPAC Name]
3,6,9,15,18,21,27,30,33-Nonaisopropyl-12,24,36-triméthyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodécone [French] [ACD/IUPAC Name]
1,7,13,19,25, 31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11, 14,17,20,23,26,29,32,35-dodecone, 12,24,36-trimethyl-3,6,9,15,18, 21,27,30,33-nonakis(1-methylethyl)-
1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane- 2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 12,24,36-trimetyl-3,6,9,15,18,21,27,30,33-nonakis(1-methylethyl)-
11005-80-4 [RN]
134-16-7 [RN]
32398-05-3 [RN]
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Bio1_000384 [DBID]
Bio1_000873 [DBID]
Bio1_001362 [DBID]
Bio2_000453 [DBID]
Bio2_000933 [DBID]
BRN 0078657 [DBID]
HSDB 6423 [DBID]
KBio2_000566 [DBID]
KBio2_002478 [DBID]
KBio2_003134 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1333.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 202.0±3.0 kJ/mol
Flash Point: 760.5±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: -2.08
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.77
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.77
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


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