ChemSpider 2D Image | Dimethyl (1R,4R,5R,8R)-1,5-dichlorooctadecahydrocyclopenta[a]cyclopenta[4,5]pentaleno[2,1,6-cde]pentalene-4,8-dicarboxylate | C22H28Cl2O4

Dimethyl (1R,4R,5R,8R)-1,5-dichlorooctadecahydrocyclopenta[a]cyclopenta[4,5]pentaleno[2,1,6-cde]pentalene-4,8-dicarboxylate

  • Molecular FormulaC22H28Cl2O4
  • Average mass427.361 Da
  • Monoisotopic mass426.136475 Da
  • ChemSpider ID22899501

  • defined stereocentres - 4 of 14 defined stereocentres

More details:

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

(1R,4R,5R,8R)-1,5-Dichlorooctadécahydrocyclopenta[a]cyclopenta[4,5]pentaléno[2,1,6-cde]pentalène-4,8-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Cyclopenta[a]cyclopenta[4,5]pentaleno[2,1,6-cde]pentalene-4,8-dicarboxylic acid, 1,5-dichlorooctadecahydro-, dimethyl ester, (1R,4R,5R,8R)- [ACD/Index Name]
Dimethyl (1R,4R,5R,8R)-1,5-dichlorooctadecahydrocyclopenta[a]cyclopenta[4,5]pentaleno[2,1,6-cde]pentalene-4,8-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R,4R,5R,8R)-1,5-dichloroctadecahydrocyclopenta[a]cyclopenta[4,5]pentaleno[2,1,6-cde]pentalen-4,8-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 517.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 179.3±29.1 °C
Index of Refraction: 1.581
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 592.90
ACD/KOC (pH 5.5): 3361.27
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 592.90
ACD/KOC (pH 7.4): 3361.27
Polar Surface Area: 53 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 314.4±5.0 cm3

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