ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)-1-pentanone | C24H38O3

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)-1-pentanone

  • Molecular FormulaC24H38O3
  • Average mass374.557 Da
  • Monoisotopic mass374.282104 Da
  • ChemSpider ID21402676

More details:

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

1-Pentanone, 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-heptylphényl)-1-pentanone [French] [ACD/IUPAC Name]
898755-54-9 [RN]
5-(5,5-dimethyl -1,3-dioxan-2-yl )-4'-heptylvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-heptylphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-heptylvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-heptylvalerophenone
MFCD03844288 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 484.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 238.7±11.0 °C
Index of Refraction: 1.487
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109227.98
ACD/KOC (pH 5.5): 140610.55
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109227.98
ACD/KOC (pH 7.4): 140610.55
Polar Surface Area: 36 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 388.8±3.0 cm3

Click to predict properties on the Chemicalize site


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