ChemSpider 2D Image | (2E,4E,6E)-7-[2-(2,2-Difluoroethoxy)-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methyl-2,4,6-octatrienoic acid | C25H34F2O3

(2E,4E,6E)-7-[2-(2,2-Difluoroethoxy)-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methyl-2,4,6-octatrienoic acid

  • Molecular FormulaC25H34F2O3
  • Average mass420.533 Da
  • Monoisotopic mass420.247589 Da
  • ChemSpider ID28558649

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E)-7-[2-(2,2-Difluorethoxy)-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methyl-2,4,6-octatriensäure [German] [ACD/IUPAC Name]
(2E,4E,6E)-7-[2-(2,2-Difluoroethoxy)-3,5-bis(2-methyl-2-propanyl)phenyl]-3-methyl-2,4,6-octatrienoic acid [ACD/IUPAC Name]
2,4,6-Octatrienoic acid, 7-[2-(2,2-difluoroethoxy)-3,5-bis(1,1-dimethylethyl)phenyl]-3-methyl-, (2E,4E,6E)- [ACD/Index Name]
Acide (2E,4E,6E)-7-[2-(2,2-difluoroéthoxy)-3,5-bis(2-méthyl-2-propanyl)phényl]-3-méthyl-2,4,6-octatriénoïque [French] [ACD/IUPAC Name]
331248-11-4 [RN]
LG 101506

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.5±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 10054.25
ACD/KOC (pH 5.5): 14759.32
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 159.95
ACD/KOC (pH 7.4): 234.80
Polar Surface Area: 47 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 399.6±3.0 cm3

Click to predict properties on the Chemicalize site


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