ChemSpider 2D Image | 3,3-Dichloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidene-5,9-dimethyl-4,8-decadien-1-yl]-2,3-dihydro-1,4-naphthalenedione | C25H30Cl2O5

3,3-Dichloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidene-5,9-dimethyl-4,8-decadien-1-yl]-2,3-dihydro-1,4-naphthalenedione

  • Molecular FormulaC25H30Cl2O5
  • Average mass481.409 Da
  • Monoisotopic mass480.147034 Da
  • ChemSpider ID65327452

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Naphthalenedione, 3,3-dichloro-2-[(4E)-5,9-dimethyl-2-(1-methylethylidene)-4,8-decadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy- [ACD/Index Name]
3,3-Dichlor-2,5,7-trihydroxy-2-[(4E)-2-isopropyliden-5,9-dimethyl-4,8-decadien-1-yl]-2,3-dihydro-1,4-naphthalindion [German] [ACD/IUPAC Name]
3,3-Dichloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidène-5,9-diméthyl-4,8-décadién-1-yl]-2,3-dihydro-1,4-naphtalènedione [French] [ACD/IUPAC Name]
3,3-Dichloro-2,5,7-trihydroxy-2-[(4E)-2-isopropylidene-5,9-dimethyl-4,8-decadien-1-yl]-2,3-dihydro-1,4-naphthalenedione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.0±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 540637.69
ACD/KOC (pH 5.5): 404744.16
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 16298.68
ACD/KOC (pH 7.4): 12201.88
Polar Surface Area: 95 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 368.7±5.0 cm3

Click to predict properties on the Chemicalize site


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