ChemSpider 2D Image | (1E,3Z)-5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-formyl-1,3-pentadien-1-yl acetate | C17H24O3

(1E,3Z)-5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-formyl-1,3-pentadien-1-yl acetate

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID95759692

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,3Z)-5-(2,2-Dimethyl-6-methylencyclohexyl)-3-formyl-1,3-pentadien-1-yl-acetat [German] [ACD/IUPAC Name]
(1E,3Z)-5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-formyl-1,3-pentadien-1-yl acetate [ACD/IUPAC Name]
2-Butenal, 2-[(E)-2-(acetyloxy)ethenyl]-4-(2,2-dimethyl-6-methylenecyclohexyl)-, (2Z)- [ACD/Index Name]
Acétate de (1E,3Z)-5-(2,2-diméthyl-6-méthylènecyclohexyl)-3-formyl-1,3-pentadién-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 371.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 159.9±23.2 °C
Index of Refraction: 1.498
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.63
ACD/KOC (pH 5.5): 2279.50
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.63
ACD/KOC (pH 7.4): 2279.50
Polar Surface Area: 43 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 35.7±5.0 dyne/cm
Molar Volume: 272.9±5.0 cm3

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