ChemSpider 2D Image | 5,11,17,23-Tetraisopropylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,21,23-nonaene-25,26,27,28-tetrol | C40H54O4

5,11,17,23-Tetraisopropylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,21,23-nonaene-25,26,27,28-tetrol

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID8252820

More details:

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

5,11,17,23-Tetraisopropylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,21,23-nonaen-25,26,27,28-tetrol [German] [ACD/IUPAC Name]
5,11,17,23-Tetraisopropylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,21,23-nonaene-25,26,27,28-tetrol [ACD/IUPAC Name]
5,11,17,23-Tétraisopropylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,21,23-nonaène-25,26,27,28-tétrol [French] [ACD/IUPAC Name]
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),21,23-nonaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1-methylethyl)- [ACD/Index 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: 689.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 265.9±26.1 °C
Index of Refraction: 1.576
Molar Refractivity: 181.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 10.98
ACD/LogD (pH 5.5): 9.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3128351.50
ACD/LogD (pH 7.4): 9.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3118351.75
Polar Surface Area: 81 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 548.9±3.0 cm3

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