ChemSpider 2D Image | Calix[6]arene | C42H36O6

Calix[6]arene

  • Molecular FormulaC42H36O6
  • Average mass636.732 Da
  • Monoisotopic mass636.251160 Da
  • ChemSpider ID2007000

More details:

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

96107-95-8 [RN]
Calix[6]arene
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaen-37,38,39,40,41,42-hexol [German] [ACD/IUPAC Name]
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol [ACD/IUPAC Name]
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotétraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadécaène-37,38,39,40,41,42-hexol [French] [ACD/IUPAC Name]
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol [ACD/Index Name]
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol
[96107-95-8] [RN]
37,38,39,40,41,42-HEXAHYDROXYCALIX[6]ARENE
heptacyclo[31.3.1.1?,?.1?,??.1??,??.1??,??.1??,??]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol
More...

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

MFCD00143083 [DBID]
21264_FLUKA [DBID]
434108_ALDRICH [DBID]
ZINC04262201 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 788.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 316.8±27.5 °C
Index of Refraction: 1.689
Molar Refractivity: 186.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 323926.56
ACD/KOC (pH 5.5): 306144.63
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 318961.59
ACD/KOC (pH 7.4): 301452.22
Polar Surface Area: 121 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

Click to predict properties on the Chemicalize site


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