ChemSpider 2D Image | (1R,2R)-1,2-Cyclopentanediyldi-2,1-phenylene (2R,2'R)bis[methoxy(phenyl)acetate] | C35H34O6

(1R,2R)-1,2-Cyclopentanediyldi-2,1-phenylene (2R,2'R)bis[methoxy(phenyl)acetate]

  • Molecular FormulaC35H34O6
  • Average mass550.641 Da
  • Monoisotopic mass550.235535 Da
  • ChemSpider ID24729792

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R)-1,2-Cyclopentandiyldi-2,1-phenylen-(2R,2'R)bis[methoxy(phenyl)acetat] [German] [ACD/IUPAC Name]
(1R,2R)-1,2-Cyclopentanediyldi-2,1-phenylene (2R,2'R)bis[methoxy(phenyl)acetate] [ACD/IUPAC Name]
(2R,2'R)Bis[méthoxy(phényl)acétate] de (1R,2R)-1,2-cyclopentanediyldi-2,1-phénylène [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methoxy-, (1R,2R)-1,2-cyclopentanediyldi-2,1-phenylene ester, (αR)- [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: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 275.4±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 390326.72
ACD/KOC (pH 5.5): 349878.44
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 390326.72
ACD/KOC (pH 7.4): 349878.44
Polar Surface Area: 71 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 461.0±3.0 cm3

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