ChemSpider 2D Image | cis-4-Cyano-4-{3-[(~2~H_9_)cyclopentyloxy]-4-methoxyphenyl}cyclohexanecarboxylic acid | C20H16D9NO4

cis-4-Cyano-4-{3-[(2H9)cyclopentyloxy]-4-methoxyphenyl}cyclohexanecarboxylic acid

  • Molecular FormulaC20H16D9NO4
  • Average mass352.472 Da
  • Monoisotopic mass352.234863 Da
  • ChemSpider ID76920258

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acide cis-4-cyano-4-{3-[(2H9)cyclopentyloxy]-4-méthoxyphényl}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
cis-4-Cyan-4-{3-[(2H9)cyclopentyloxy]-4-methoxyphenyl}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
cis-4-Cyano-4-{3-[(2H9)cyclopentyloxy]-4-methoxyphenyl}cyclohexanecarboxylic acid [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-cyano-4-[3-(cyclopentyl-d9-oxy)-4-methoxyphenyl]-, cis- [ACD/Index Name]
1794779-92-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 18.32
ACD/KOC (pH 5.5): 137.27
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 80 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 282.7±5.0 cm3

Click to predict properties on the Chemicalize site


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