ChemSpider 2D Image | Nanokid | C39H42O2

Nanokid

  • Molecular FormulaC39H42O2
  • Average mass542.750 Da
  • Monoisotopic mass542.318481 Da
  • ChemSpider ID9528192

More details:






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

Nanokid
1,3-Dioxolane, 2-[2,5-bis(3,3-dimethyl-1-butyn-1-yl)-4-[2-(3,5-di-1-pentyn-1-ylphenyl)ethynyl]phenyl]- [ACD/Index Name]
2-[2,5-Bis(3,3-dimethyl-1-butin-1-yl)-4-{[3,5-di(1-pentin-1-yl)phenyl]ethinyl}phenyl]-1,3-dioxolan [German] [ACD/IUPAC Name]
2-[2,5-Bis(3,3-dimethyl-1-butyn-1-yl)-4-{[3,5-di(1-pentyn-1-yl)phenyl]ethynyl}phenyl]-1,3-dioxolane [ACD/IUPAC Name]
2-[2,5-Bis(3,3-diméthyl-1-butyn-1-yl)-4-{[3,5-di(1-pentyn-1-yl)phényl]éthynyl}phényl]-1,3-dioxolane [French] [ACD/IUPAC Name]
2-[2,5-bis(3,3-dimethylbut-1-yn-1-yl)-4-{[3,5-di(pent-1-yn-1-yl)phenyl]ethynyl}phenyl]-1,3-dioxolane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 681.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 202.8±31.0 °C
Index of Refraction: 1.592
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 12.38
ACD/LogD (pH 5.5): 10.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6695628.50
ACD/LogD (pH 7.4): 10.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6695628.50
Polar Surface Area: 18 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 496.6±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form