ChemSpider 2D Image | 2,19-Bis(2-methyl-2-butanyl)-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine | C38H60O10

2,19-Bis(2-methyl-2-butanyl)-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine

  • Molecular FormulaC38H60O10
  • Average mass676.877 Da
  • Monoisotopic mass676.418640 Da
  • ChemSpider ID3236141

More details:

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

2,19-Bis(2-methyl-2-butanyl)-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontin [German] [ACD/IUPAC Name]
2,19-Bis(2-methyl-2-butanyl)-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine [ACD/IUPAC Name]
2,19-Bis(2-méthyl-2-butanyl)-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadécahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]décaoxacyclotriacontine [French] [ACD/IUPAC Name]
Dibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontin, 2,19-bis(1,1-dimethylpropyl)-6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydro- [ACD/Index Name]
2,19-bis(1,1-dimethylpropyl)-5,6,7,8,9,10,11,12,13,14,15,16,17,22,23,24,25,26, 27,28,29,30,31,32,33,34-hexacosahydrodibenzo[a,p][30]annulene
2,19-bis(1,1-dimethylpropyl)-5,6,7,8,9,10,11,12,13,14,15,16,17,22,23,24,25,26,27,28,29,30,31,32,33,34-hexacosahydrodibenzo[a,p][30]annulene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 739.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 263.6±32.8 °C
Index of Refraction: 1.466
Molar Refractivity: 185.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3627.23
ACD/KOC (pH 5.5): 12289.60
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3627.23
ACD/KOC (pH 7.4): 12289.60
Polar Surface Area: 92 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 668.6±3.0 cm3

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