ChemSpider 2D Image | 1-(3,5-Bis{2-[2-(2-{2-[(1s,3R,5S)-adamantan-1-yloxy]ethoxy}ethoxy)ethoxy]ethoxy}phenyl)methanamine | C43H69NO10

1-(3,5-Bis{2-[2-(2-{2-[(1s,3R,5S)-adamantan-1-yloxy]ethoxy}ethoxy)ethoxy]ethoxy}phenyl)methanamine

  • Molecular FormulaC43H69NO10
  • Average mass760.009 Da
  • Monoisotopic mass759.492126 Da
  • ChemSpider ID25085018

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

1-(3,5-Bis{2-[2-(2-{2-[(1s,3R,5S)-adamantan-1-yloxy]ethoxy}ethoxy)ethoxy]ethoxy}phenyl)methanamin [German] [ACD/IUPAC Name]
1-(3,5-Bis{2-[2-(2-{2-[(1s,3R,5S)-adamantan-1-yloxy]ethoxy}ethoxy)ethoxy]ethoxy}phenyl)methanamine [ACD/IUPAC Name]
1-(3,5-Bis{2-[2-(2-{2-[(1s,3R,5S)-adamantan-1-yloxy]éthoxy}éthoxy)éthoxy]éthoxy}phényl)méthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 3,5-bis[2-[2-[2-[2-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]- [ACD/Index Name]
3,5-Bis[2-(2-{2-[2-(adamantan-1-yloxy)ethoxy]ethoxy}ethoxy)ethoxy]benzylamine

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 206.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 5.87
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 29.83
ACD/KOC (pH 7.4): 143.03
Polar Surface Area: 118 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 643.3±5.0 cm3

Click to predict properties on the Chemicalize site


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