Found 1 result

Search term: YTRRAUACYORZLX-FUHWJXTLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R)-1-Cyclohexyl-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol | C18H22N2O

(1R)-1-Cyclohexyl-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

  • Molecular FormulaC18H22N2O
  • Average mass282.380 Da
  • Monoisotopic mass282.173218 Da
  • ChemSpider ID58911911

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1{r})-1-Cyclohexyl-2-[(5{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
(1R)-1-Cyclohexyl-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol [German] [ACD/IUPAC Name]
(1R)-1-Cyclohexyl-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol [ACD/IUPAC Name]
(1R)-1-Cyclohexyl-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]éthanol [French] [ACD/IUPAC Name]
5H-Imidazo[5,1-a]isoindole-5-ethanol, α-cyclohexyl-, (αR,5S)- [ACD/Index Name]
5PK

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.1±25.4 °C
Index of Refraction: 1.676
Molar Refractivity: 83.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 35.19
ACD/KOC (pH 5.5): 251.83
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 241.29
ACD/KOC (pH 7.4): 1726.81
Polar Surface Area: 38 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 221.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement