Found 1 result

Search term: 25055177 (Found by CSID)
ChemSpider 2D Image | cylindrocyclophane C4 | C36H52Cl4O5

cylindrocyclophane C4

  • Molecular FormulaC36H52Cl4O5
  • Average mass706.607 Da
  • Monoisotopic mass704.256897 Da
  • ChemSpider ID25055177

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,8R,14S,19R)-8,19-Bis(4,4-dichlorbutyl)-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaen-2,10,21,24,26-pentol [German] [ACD/IUPAC Name]
(2R,3S,8R,14S,19R)-8,19-Bis(4,4-dichlorobutyl)-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,21,24,26-pentol [ACD/IUPAC Name]
(2R,3S,8R,14S,19R)-8,19-Bis(4,4-dichlorobutyl)-3,14-diméthyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaène-2,10,21,24,26-pentol [French] [ACD/IUPAC Name]
cylindrocyclophane C4
Tricyclo[18.2.2.29,12]hexacosa-9,11,20,22,23,25-hexaene-2,10,21,24,26-pentol, 8,19-bis(4,4-dichlorobutyl)-3,14-dimethyl-, (2R,3S,8R,14S,19R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.3±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 188.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 11.02
ACD/LogD (pH 5.5): 10.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 101 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 597.1±3.0 cm3

Click to predict properties on the Chemicalize site


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