ChemSpider 2D Image | 6-[(2E,4E,6E,8E)-9-(3-Chloro-1H-pyrrol-2-yl)-2,4,6,8-nonatetraen-2-yl]-4-methoxy-3-methyl-2H-pyran-2-one | C20H20ClNO3

6-[(2E,4E,6E,8E)-9-(3-Chloro-1H-pyrrol-2-yl)-2,4,6,8-nonatetraen-2-yl]-4-methoxy-3-methyl-2H-pyran-2-one

  • Molecular FormulaC20H20ClNO3
  • Average mass357.831 Da
  • Monoisotopic mass357.113159 Da
  • ChemSpider ID115284304

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 6-[(1E,3E,5E,7E)-8-(3-chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraen-1-yl]-4-methoxy-3-methyl- [ACD/Index Name]
6-[(2E,4E,6E,8E)-9-(3-Chlor-1H-pyrrol-2-yl)-2,4,6,8-nonatetraen-2-yl]-4-methoxy-3-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(2E,4E,6E,8E)-9-(3-Chloro-1H-pyrrol-2-yl)-2,4,6,8-nonatetraen-2-yl]-4-methoxy-3-methyl-2H-pyran-2-one [ACD/IUPAC Name]
6-[(2E,4E,6E,8E)-9-(3-Chloro-1H-pyrrol-2-yl)-2,4,6,8-nonatétraén-2-yl]-4-méthoxy-3-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
148528-19-2 [RN]
6-[(2E,4E,6E,8E)-9-(3-CHLORO-1H-PYRROL-2-YL)NONA-2,4,6,8-TETRAEN-2-YL]-4-METHOXY-3-METHYLPYRAN-2-ONE
rumbrin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.0±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1412.01
ACD/KOC (pH 5.5): 6255.36
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1412.01
ACD/KOC (pH 7.4): 6255.36
Polar Surface Area: 51 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 292.2±5.0 cm3

Click to predict properties on the Chemicalize site


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