Found 1 result

Search term: PMDGKVCQGKNRBF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-1-pentanone | C20H30O4

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

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID21402640

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-methoxy-3,5-dimethylphenyl)- [ACD/Index Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-1-pentanon [German] [ACD/IUPAC Name]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-1-pentanone [ACD/IUPAC Name]
5-(5,5-Diméthyl-1,3-dioxan-2-yl)-1-(4-méthoxy-3,5-diméthylphényl)-1-pentanone [French] [ACD/IUPAC Name]
898786-77-1 [RN]
5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)pentan-1-one
5-(5,5-dimethyl-1,3-dioxan-2-yl)-3,5-dimethyl-4-methoxyvalerophenone
5-(5,5-dimethyl-1,3-dioxan-2-yl)-3',5'-dimethyl-4'-methoxyvalerophenone
MFCD03844264 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 456.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 197.8±27.4 °C
Index of Refraction: 1.491
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 627.46
ACD/KOC (pH 5.5): 3500.38
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 627.46
ACD/KOC (pH 7.4): 3500.38
Polar Surface Area: 45 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 330.0±3.0 cm3

Click to predict properties on the Chemicalize site






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