ChemSpider 2D Image | 4-[4-({7-[Cyclohexyl(hydroxy)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenyl]-2-methyl-3-butyn-2-ol | C28H35NO3

4-[4-({7-[Cyclohexyl(hydroxy)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenyl]-2-methyl-3-butyn-2-ol

  • Molecular FormulaC28H35NO3
  • Average mass433.582 Da
  • Monoisotopic mass433.261688 Da
  • ChemSpider ID22176509

More details:

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

1,4-Benzoxazepine-7-methanol, α-cyclohexyl-2,3,4,5-tetrahydro-4-[[4-(3-hydroxy-3-methyl-1-butyn-1-yl)phenyl]methyl]- [ACD/Index Name]
4-[4-({7-[Cyclohexyl(hydroxy)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenyl]-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-[4-({7-[Cyclohexyl(hydroxy)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenyl]-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-[4-({7-[Cyclohexyl(hydroxy)méthyl]-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl}méthyl)phényl]-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
4-(4-{[7-[cyclohexyl(hydroxy)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methyl}phenyl)-2-methyl-3-butyn-2-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.7±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 137.85
ACD/KOC (pH 5.5): 513.80
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2112.50
ACD/KOC (pH 7.4): 7874.00
Polar Surface Area: 53 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 363.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement