ChemSpider 2D Image | Cyclopentyl[4-(4-methoxybenzyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]methanone | C32H44N2O3

Cyclopentyl[4-(4-methoxybenzyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]methanone

  • Molecular FormulaC32H44N2O3
  • Average mass504.703 Da
  • Monoisotopic mass504.335205 Da
  • ChemSpider ID77199807

More details:

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

Cyclopentyl[4-(4-methoxybenzyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]methanon [German] [ACD/IUPAC Name]
Cyclopentyl[4-(4-methoxybenzyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]methanone [ACD/IUPAC Name]
Cyclopentyl[4-(4-méthoxybenzyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, cyclopentyl[2,3,4,5,7,8,9,10-octahydro-4-[(4-methoxyphenyl)methyl]spiro[6H-1,4-benzoxaazacyclododecine-6,4'-piperidin]-1'-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.2±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 409.78
ACD/KOC (pH 5.5): 719.67
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 16680.13
ACD/KOC (pH 7.4): 29294.26
Polar Surface Area: 42 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 440.3±5.0 cm3

Click to predict properties on the Chemicalize site


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