ChemSpider 2D Image | Diethyl 2,2'-{[26,28-dihydroxypentacyclo[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-25,27-diyl]bis(oxy)}diacetate | C36H36O8

Diethyl 2,2'-{[26,28-dihydroxypentacyclo[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-25,27-diyl]bis(oxy)}diacetate

  • Molecular FormulaC36H36O8
  • Average mass596.666 Da
  • Monoisotopic mass596.241028 Da
  • ChemSpider ID4419067

More details:

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

2,2'-{[26,28-Dihydroxypentacyclo[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-25,27-diyl]bis(oxy)}diacétate de diéthyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-[[26,28-dihydroxypentacyclo[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-25,27-diyl]bis(oxy)]bis-, diethyl ester [ACD/Index Name]
Diethyl 2,2'-{[26,28-dihydroxypentacyclo[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-25,27-diyl]bis(oxy)}diacetate [ACD/IUPAC Name]
Diethyl-2,2'-{[26,28-dihydroxypentacyclo[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-25,27-diyl]bis(oxy)}diacetat [German] [ACD/IUPAC Name]
142267-55-8 [RN]
25,27-bis[(ethoxy-carbonyl)methoxy]26,28-dihydroxy calix[4]arene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 229.8±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 165.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26758.05
ACD/KOC (pH 5.5): 51374.85
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26653.84
ACD/KOC (pH 7.4): 51174.77
Polar Surface Area: 112 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 483.0±3.0 cm3

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