ChemSpider 2D Image | Methyl (2Z,3Z,5E)-6-{4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl}-2-(methoxymethylene)-3-methyl-3,5-hexadienoate | C26H34O6

Methyl (2Z,3Z,5E)-6-{4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl}-2-(methoxymethylene)-3-methyl-3,5-hexadienoate

  • Molecular FormulaC26H34O6
  • Average mass442.545 Da
  • Monoisotopic mass442.235535 Da
  • ChemSpider ID120329934

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,3Z,5E)-6-{4,4-Diméthyl-3-[(3-méthyl-2-butén-1-yl)oxy]-3,4-dihydro-2H-1,5-benzodioxépin-7-yl}-2-(méthoxyméthylène)-3-méthyl-3,5-hexadiénoate de méthyle [French] [ACD/IUPAC Name]
3,5-Hexadienoic acid, 6-[3,4-dihydro-4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-2H-1,5-benzodioxepin-7-yl]-2-(methoxymethylene)-3-methyl-, methyl ester, (2Z,3Z,5E)- [ACD/Index Name]
Methyl (2Z,3Z,5E)-6-{4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl}-2-(methoxymethylene)-3-methyl-3,5-hexadienoate [ACD/IUPAC Name]
Methyl-(2Z,3Z,5E)-6-{4,4-dimethyl-3-[(3-methyl-2-buten-1-yl)oxy]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl}-2-(methoxymethylen)-3-methyl-3,5-hexadienoat [German] [ACD/IUPAC 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: 573.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 243.9±30.2 °C
Index of Refraction: 1.541
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3192.68
ACD/KOC (pH 5.5): 11216.80
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3192.68
ACD/KOC (pH 7.4): 11216.80
Polar Surface Area: 63 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 397.8±5.0 cm3

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