ChemSpider 2D Image | 5-(Cyclohexylmethoxy)-3-{3-[4-(2-methyl-2-propanyl)phenyl]-3-oxopropyl}-4H-chromen-4-one | C29H34O4

5-(Cyclohexylmethoxy)-3-{3-[4-(2-methyl-2-propanyl)phenyl]-3-oxopropyl}-4H-chromen-4-one

  • Molecular FormulaC29H34O4
  • Average mass446.578 Da
  • Monoisotopic mass446.245697 Da
  • ChemSpider ID30816351

More details:

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

4H-1-Benzopyran-4-one, 5-(cyclohexylmethoxy)-3-[3-[4-(1,1-dimethylethyl)phenyl]-3-oxopropyl]- [ACD/Index Name]
5-(Cyclohexylmethoxy)-3-{3-[4-(2-methyl-2-propanyl)phenyl]-3-oxopropyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-(Cyclohexylmethoxy)-3-{3-[4-(2-methyl-2-propanyl)phenyl]-3-oxopropyl}-4H-chromen-4-one [ACD/IUPAC Name]
5-(Cyclohexylméthoxy)-3-{3-[4-(2-méthyl-2-propanyl)phényl]-3-oxopropyl}-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 605.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 257.5±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76416.45
ACD/KOC (pH 5.5): 108884.33
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 76416.45
ACD/KOC (pH 7.4): 108884.33
Polar Surface Area: 53 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 401.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement