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Search term: 28642846 (Found by CSID)
ChemSpider 2D Image | 11-Hydroxy-4-methoxy-9-methyl-3-[(1E)-3-methyl-1,3-butadien-1-yl]-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one | C21H20O5

11-Hydroxy-4-methoxy-9-methyl-3-[(1E)-3-methyl-1,3-butadien-1-yl]-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one

  • Molecular FormulaC21H20O5
  • Average mass352.380 Da
  • Monoisotopic mass352.131073 Da
  • ChemSpider ID28642846

  • Double-bond stereo - Double-bond stereo

More details:

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

11-Hydroxy-4-methoxy-9-methyl-3-[(1E)-3-methyl-1,3-butadien-1-yl]-5H,7H-dibenzo[b,g][1,5]dioxocin-5-on [German] [ACD/IUPAC Name]
11-Hydroxy-4-methoxy-9-methyl-3-[(1E)-3-methyl-1,3-butadien-1-yl]-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one [ACD/IUPAC Name]
11-Hydroxy-4-méthoxy-9-méthyl-3-[(1E)-3-méthyl-1,3-butadién-1-yl]-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one [French] [ACD/IUPAC Name]
5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one, 11-hydroxy-4-methoxy-9-methyl-3-[(1E)-3-methyl-1,3-butadien-1-yl]- [ACD/Index Name]
dehydroxypenicillide
Neosarphenol B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 215.4±25.0 °C
Index of Refraction: 1.611
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1036.58
ACD/KOC (pH 5.5): 5012.61
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 971.90
ACD/KOC (pH 7.4): 4699.84
Polar Surface Area: 65 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

Click to predict properties on the Chemicalize site


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