ChemSpider 2D Image | 25,27-Bis(benzyloxy)-5,11,17,23-tetrakis(2-methyl-2-propanyl)-26,28-bis(2-propyn-1-yloxy)pentacyclo[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 | C64H72O4

25,27-Bis(benzyloxy)-5,11,17,23-tetrakis(2-methyl-2-propanyl)-26,28-bis(2-propyn-1-yloxy)pentacyclo[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

  • Molecular FormulaC64H72O4
  • Average mass905.254 Da
  • Monoisotopic mass904.543091 Da
  • ChemSpider ID30651675

More details:

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

25,27-Bis(benzyloxy)-5,11,17,23-tetrakis(2-methyl-2-propanyl)-26,28-bis(2-propin-1-yloxy)pentacyclo[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 [German] [ACD/IUPAC Name]
25,27-Bis(benzyloxy)-5,11,17,23-tetrakis(2-methyl-2-propanyl)-26,28-bis(2-propyn-1-yloxy)pentacyclo[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 [ACD/IUPAC Name]
25,27-Bis(benzyloxy)-5,11,17,23-tétrakis(2-méthyl-2-propanyl)-26,28-bis(2-propyn-1-yloxy)pentacyclo[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 [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, 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-bis(phenylmethoxy)-26,28-bis(2-propyn-1-yloxy) - [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: 908.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: -18.0±41.1 °C
Index of Refraction: 1.574
Molar Refractivity: 280.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 18.12
ACD/LogD (pH 5.5): 16.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 37 Å2
Polarizability: 111.1±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 849.8±3.0 cm3

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