ChemSpider 2D Image | (2E,4E)-5-(7-Methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-2,4-pentadienoic acid | C19H22O4

(2E,4E)-5-(7-Methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-2,4-pentadienoic acid

  • Molecular FormulaC19H22O4
  • Average mass314.376 Da
  • Monoisotopic mass314.151794 Da
  • ChemSpider ID95796034

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-5-(7-Methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-2,4-pentadienoic acid [ACD/IUPAC Name]
(2E,4E)-5-(7-Methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methyl-2,4-pentadiensäure [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-(2,3-dihydro-7-methoxy-3,3-dimethyl-1-benzoxepin-5-yl)-3-methyl-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-(7-méthoxy-3,3-diméthyl-2,3-dihydro-1-benzoxépin-5-yl)-3-méthyl-2,4-pentadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 491.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 174.5±22.2 °C
Index of Refraction: 1.586
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 102.44
ACD/KOC (pH 5.5): 567.33
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 9.10
Polar Surface Area: 56 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

Click to predict properties on the Chemicalize site


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