ChemSpider 2D Image | (2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal | C15H22O

(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal

  • Molecular FormulaC15H22O
  • Average mass218.335 Da
  • Monoisotopic mass218.167068 Da
  • ChemSpider ID115295501

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal [ACD/IUPAC Name]
(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienal [German] [ACD/IUPAC Name]
(2E,4E)-3-Méthyl-5-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,4-pentadiénal [French] [ACD/IUPAC Name]
2,4-Pentadienal, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E)- [ACD/Index Name]
(7E,9E)-β-Ionylidene Acetaldehyde
3917-41-7 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 329.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 156.2±11.5 °C
Index of Refraction: 1.529
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1147.43
ACD/KOC (pH 5.5): 5392.03
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1147.43
ACD/KOC (pH 7.4): 5392.03
Polar Surface Area: 17 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


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