ChemSpider 2D Image | (2R)-1-(Benzyloxy)-2,4-dimethyl-5-hexen-3-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate | C25H29F3O4

(2R)-1-(Benzyloxy)-2,4-dimethyl-5-hexen-3-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

  • Molecular FormulaC25H29F3O4
  • Average mass450.491 Da
  • Monoisotopic mass450.201782 Da
  • ChemSpider ID30812354

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R)-1-(Benzyloxy)-2,4-dimethyl-5-hexen-3-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate [ACD/IUPAC Name]
(2R)-1-(Benzyloxy)-2,4-dimethyl-5-hexen-3-yl-(2R)-3,3,3-trifluor-2-methoxyhydratropaat [German] [ACD/IUPAC Name]
(2R)-3,3,3-Trifluoro-2-méthoxy-2-phénylpropanoate de (2R)-1-(benzyloxy)-2,4-diméthyl-5-hexén-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, 2-methyl-1-[(1R)-1-methyl-2-(phenylmethoxy)ethyl]-3-buten-1-yl ester, (αR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 259.0±25.0 °C
Index of Refraction: 1.501
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 143511.45
ACD/KOC (pH 5.5): 170953.02
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 143511.45
ACD/KOC (pH 7.4): 170953.02
Polar Surface Area: 45 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 394.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement