ChemSpider 2D Image | [(4-{[2-(2-Pentyn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydro-1-naphthalenyl)oxy]acetic acid | C31H29F3O5S

[(4-{[2-(2-Pentyn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydro-1-naphthalenyl)oxy]acetic acid

  • Molecular FormulaC31H29F3O5S
  • Average mass570.619 Da
  • Monoisotopic mass570.168762 Da
  • ChemSpider ID24711613

More details:

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

[(4-{[2-(2-Pentin-1-yloxy)-4-{[4-(trifluormethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydro-1-naphthalinyl)oxy]essigsäure [German] [ACD/IUPAC Name]
[(4-{[2-(2-Pentyn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydro-1-naphthalenyl)oxy]acetic acid [ACD/IUPAC Name]
[(4-{[2-(Pent-2-Yn-1-Yloxy)-4-{[4-(Trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-Tetrahydronaphthalen-1-Yl)oxy]acetic Acid
Acetic acid, 2-[[5,6,7,8-tetrahydro-4-[[2-(2-pentyn-1-yloxy)-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]thio]-1-naphthalenyl]oxy]- [ACD/Index Name]
Acide [(4-{[2-(2-pentyn-1-yloxy)-4-{[4-(trifluorométhyl)phénoxy]méthyl}phényl]sulfanyl}-5,6,7,8-tétrahydro-1-naphtalényl)oxy]acétique [French] [ACD/IUPAC Name]
alkynyl ether, 21
D30
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL501440/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 1427.57
ACD/KOC (pH 5.5): 1357.24
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 73.76
ACD/KOC (pH 7.4): 70.13
Polar Surface Area: 90 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement