ChemSpider 2D Image | (2Z,6E,10E)-6,10-Dimethyl-12-(5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-2,6,10-dodecatrienal | C27H36O3

(2Z,6E,10E)-6,10-Dimethyl-12-(5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-2,6,10-dodecatrienal

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID57641831

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,6E,10E)-6,10-Dimethyl-12-(5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-2,6,10-dodecatrienal [German] [ACD/IUPAC Name]
(2Z,6E,10E)-6,10-Dimethyl-12-(5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-2,6,10-dodecatrienal [ACD/IUPAC Name]
(2Z,6E,10E)-6,10-Diméthyl-12-(5-méthyl-3,6-dioxo-1,4-cyclohexadién-1-yl)-2-(4-méthyl-3-pentén-1-yl)-2,6,10-dodécatriénal [French] [ACD/IUPAC Name]
2,6,10-Dodecatrienal, 6,10-dimethyl-12-(5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-, (2Z,6E,10E)- [ACD/Index Name]
70363-88-1 [RN]
Sargaquinal

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

Density: 1.0±0.1 g/cm3
Boiling Point: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 235.4±25.3 °C
Index of Refraction: 1.522
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 81220.58
ACD/KOC (pH 5.5): 113741.55
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 81220.58
ACD/KOC (pH 7.4): 113741.55
Polar Surface Area: 51 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 407.7±3.0 cm3

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