ChemSpider 2D Image | (1S,2S,5S)-2-(4-Chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol | C18H24ClN3O

(1S,2S,5S)-2-(4-Chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol

  • Molecular FormulaC18H24ClN3O
  • Average mass333.856 Da
  • Monoisotopic mass333.160797 Da
  • ChemSpider ID31116813

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,5S)-2-(4-Chlorbenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol [German] [ACD/IUPAC Name]
(1S,2S,5S)-2-(4-Chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol [ACD/IUPAC Name]
(1S,2S,5S)-2-(4-Chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylméthyl)cyclopentanol [French] [ACD/IUPAC Name]
Cyclopentanol, 2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-, (1S,2S,5S)- [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: 486.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.7±27.6 °C
Index of Refraction: 1.617
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 537.22
ACD/KOC (pH 5.5): 3126.56
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 540.57
ACD/KOC (pH 7.4): 3146.09
Polar Surface Area: 51 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 267.2±7.0 cm3

Click to predict properties on the Chemicalize site


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