ChemSpider 2D Image | 2,2',2'',2'''-{[5,11,17,23-Tetra-tert-butylpentacyclo[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-25,26,27,28-tetrayl]tetrakis(oxy)}tetrakis(1-phenylethanone) | C76H80O8

2,2',2'',2'''-{[5,11,17,23-Tetra-tert-butylpentacyclo[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-25,26,27,28-tetrayl]tetrakis(oxy)}tetrakis(1-phenylethanone)

  • Molecular FormulaC76H80O8
  • Average mass1121.444 Da
  • Monoisotopic mass1120.585327 Da
  • ChemSpider ID21149114

More details:

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

2,2',2'',2'''-{[5,11,17,23-Tetrakis(2-methyl-2-propanyl)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-25,26,27,28-tetrayl]tetrakis(oxy)}tet rakis(1-phenylethanon) [German] [ACD/IUPAC Name]
2,2',2'',2'''-{[5,11,17,23-Tetrakis(2-methyl-2-propanyl)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-25,26,27,28-tetrayl]tetrakis(oxy)}te trakis(1-phenylethanone) [ACD/IUPAC Name]
2,2',2'',2'''-{[5,11,17,23-Tétrakis(2-méthyl-2-propanyl)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-25,26,27,28-tétrayl]tétrakis(oxy)}té trakis(1-phényléthanone) [French] [ACD/IUPAC Name]
2,2',2'',2'''-{[5,11,17,23-Tetra-tert-butylpentacyclo[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-25,26,27,28-tetrayl]tetrakis(oxy)}tetrakis(1-phenylethanone)
Ethanone, 2,2',2'',2'''-[[5,11,17,23-tetrakis(1,1-dimethylethyl)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-25,26,27,28-tetrayl]tetrakis (oxy)]tetrakis[1-phenyl- [ACD/Index Name]
ethanone, 2,2',2'',2'''-[[5,11,17,23-tetrakis(1,1-dimethylethyl)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-25,26,27,28-tetrayl]tetrakis(oxy)]tetrakis[1-phenyl-
115646-53-2 [RN]
1-phenyl-2-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris(2-oxo-2-phenylethoxy)pentacyclo[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-25-yl]oxy}ethan-1-one
2,2',2'',2'''-((5,11,17,23-Tetrakis(1,1-dimethylethyl)pentacyclo(19.3.1.1(3,7).1(9,13).1(15,19))octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrayl)tetrakis(oxy))tetrakis(1-phenylethanone)
5,11,17,23-Tetra-tert.-butyl-25,26,27,28-tetrakis(benzoylmethoxy)calix(4)arene

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 335.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 19.05
ACD/LogD (pH 5.5): 17.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 133.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 998.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement