ChemSpider 2D Image | 1-[(E)-({4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}imino)methyl]-2-naphthol | C27H27NO

1-[(E)-({4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}imino)methyl]-2-naphthol

  • Molecular FormulaC27H27NO
  • Average mass381.509 Da
  • Monoisotopic mass381.209259 Da
  • ChemSpider ID79714061

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[(E)-({4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}imino)methyl]-2-naphthol [German] [ACD/IUPAC Name]
1-[(E)-({4-[(3s,5s,7s)-Adamantan-1-yl]phenyl}imino)methyl]-2-naphthol [ACD/IUPAC Name]
1-[(E)-({4-[(3s,5s,7s)-Adamantan-1-yl]phényl}imino)méthyl]-2-naphtol [French] [ACD/IUPAC Name]
2-Naphthalenol, 1-[(E)-[(4-tricyclo[3.3.1.13,7]dec-1-ylphenyl)imino]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 388.8±17.4 °C
Index of Refraction: 1.692
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 135136.77
ACD/KOC (pH 5.5): 163339.02
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 122955.48
ACD/KOC (pH 7.4): 148615.56
Polar Surface Area: 33 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 303.3±7.0 cm3

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