ChemSpider 2D Image | 7,15-Bis(2-methyl-2-propanyl)-3,11,19-trioxatetracyclo[19.3.1.1~5,9~.1~13,17~]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol | C32H40O6

7,15-Bis(2-methyl-2-propanyl)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID8896108

More details:

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

3,11,19-Trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-25,26,27-triol, 7,15-bis(1,1-dimethylethyl)- [ACD/Index Name]
7,15-Bis(2-methyl-2-propanyl)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaen-25,26,27-triol [German] [ACD/IUPAC Name]
7,15-Bis(2-methyl-2-propanyl)-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol [ACD/IUPAC Name]
7,15-Bis(2-méthyl-2-propanyl)-3,11,19-trioxatétracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaène-25,26,27-triol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 348.1±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 148.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40147.03
ACD/KOC (pH 5.5): 68678.47
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38707.34
ACD/KOC (pH 7.4): 66215.63
Polar Surface Area: 88 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 457.3±3.0 cm3

Click to predict properties on the Chemicalize site


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