ChemSpider 2D Image | 2,8,14,20-Tetraethylpentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol | C36H40O8

2,8,14,20-Tetraethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol

  • Molecular FormulaC36H40O8
  • Average mass600.698 Da
  • Monoisotopic mass600.272339 Da
  • ChemSpider ID24730563

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,8,14,20-Tetraethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-4,6,10,12,16,18,22,24-octol [German] [ACD/IUPAC Name]
2,8,14,20-Tetraethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol [ACD/IUPAC Name]
2,8,14,20-Tétraéthylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-4,6,10,12,16,18,22,24-octol [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),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol, 2,8,14,20-tetraethyl- [ACD/Index Name]
(2s,8s,14s,20s)-2,8,14,20-tetraethylpentacyclo[19.3.1.13,?.1?,13.11?,1?]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-4,6,10,12,16,18,22,24-octol
118600-17-2 [RN]
C-Ethylcalix[4]resorcinarene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 868.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 358.1±27.5 °C
Index of Refraction: 1.640
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26762.13
ACD/KOC (pH 5.5): 51378.01
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26305.86
ACD/KOC (pH 7.4): 50502.05
Polar Surface Area: 162 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 469.8±3.0 cm3

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