ChemSpider 2D Image | 1-Acetoxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-1H-pyrrole-2,5-dione | C21H25NO5

1-Acetoxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-1H-pyrrole-2,5-dione

  • Molecular FormulaC21H25NO5
  • Average mass371.427 Da
  • Monoisotopic mass371.173279 Da
  • ChemSpider ID23329991

More details:

Featured data source
Natural Product Updates

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

1-Acetoxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1-Acetoxy-3-isobutyl-4-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-Acétoxy-3-isobutyl-4-{4-[(3-méthyl-2-butén-1-yl)oxy]phényl}-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-(acetyloxy)-3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-4-(2-methylpropyl)- [ACD/Index Name]
1-(acetyloxy)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)-1H-pyrrole-2,5-dione
antrocinnamomin A
antrocinnamomins A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469702/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.5±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.06
ACD/KOC (pH 5.5): 2608.51
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.06
ACD/KOC (pH 7.4): 2608.51
Polar Surface Area: 73 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 312.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement