ChemSpider 2D Image | (5E)-5-Methyl-6-{(1R,2R)-2-[(1E,5E)-2,6,10-trimethyl(5-~2~H)-1,5-undecadien-1-yl]cyclohexyl}-5-hexenal | C27H45DO

(5E)-5-Methyl-6-{(1R,2R)-2-[(1E,5E)-2,6,10-trimethyl(5-2H)-1,5-undecadien-1-yl]cyclohexyl}-5-hexenal

  • Molecular FormulaC27H45DO
  • Average mass387.660 Da
  • Monoisotopic mass387.361145 Da
  • ChemSpider ID9626883

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5E)-5-Methyl-6-{(1R,2R)-2-[(1E,5E)-2,6,10-trimethyl(5-2H)-1,5-undecadien-1-yl]cyclohexyl}-5-hexenal [ACD/IUPAC Name]
(5E)-5-Methyl-6-{(1R,2R)-2-[(1E,5E)-2,6,10-trimethyl(5-2H)-1,5-undecadien-1-yl]cyclohexyl}-5-hexenal [German] [ACD/IUPAC Name]
(5E)-5-Méthyl-6-{(1R,2R)-2-[(1E,5E)-2,6,10-triméthyl(5-2H)-1,5-undécadién-1-yl]cyclohexyl}-5-hexénal [French] [ACD/IUPAC Name]
5-Hexenal, 5-methyl-6-[(1R,2R)-2-[(1E,5E)-2,6,10-trimethyl-1,5-undecadien-1-yl-5-d]cyclohexyl]-, (5E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 483.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 268.7±12.0 °C
Index of Refraction: 1.529
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 10.84
ACD/LogD (pH 5.5): 9.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3119070.75
ACD/LogD (pH 7.4): 9.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3119070.75
Polar Surface Area: 17 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 416.5±3.0 cm3

Click to predict properties on the Chemicalize site


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