ChemSpider 2D Image | cylindrocyclophane F | C36H56O4

cylindrocyclophane F

  • Molecular FormulaC36H56O4
  • Average mass552.827 Da
  • Monoisotopic mass552.417847 Da
  • ChemSpider ID9932052
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3S,8S,14S,19S)-8,19-Dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaen-10,21,24,26-tetrol [German] [ACD/IUPAC Name]
(3S,8S,14S,19S)-8,19-Dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol [ACD/IUPAC Name]
(3S,8S,14S,19S)-8,19-Dibutyl-3,14-diméthyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaène-10,21,24,26-tétrol [French] [ACD/IUPAC Name]
cylindrocyclophane F
Tricyclo[18.2.2.29,12]hexacosa-9,11,20,22,23,25-hexaene-10,21,24,26-tetrol, 8,19-dibutyl-3,14-dimethyl-, (3S,8S,14S,19S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 741.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 295.5±26.1 °C
Index of Refraction: 1.518
Molar Refractivity: 167.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 13.44
ACD/LogD (pH 5.5): 11.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 81 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 553.8±3.0 cm3

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