ChemSpider 2D Image | 3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-2,3-dihydro-1,4-naphthalenedione | C25H31ClO5

3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-2,3-dihydro-1,4-naphthalenedione

  • Molecular FormulaC25H31ClO5
  • Average mass446.964 Da
  • Monoisotopic mass446.186005 Da
  • ChemSpider ID64883289

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Naphthalenedione, 3-chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
3-Chlor-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-2,3-dihydro-1,4-naphthalindion [German] [ACD/IUPAC Name]
3-Chloro-2-[(2E)-3,7-diméthyl-2,6-octadién-1-yl]-2,5,7-trihydroxy-3-(3-méthyl-2-butén-1-yl)-2,3-dihydro-1,4-naphtalènedione [French] [ACD/IUPAC Name]
3-Chloro-2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,5,7-trihydroxy-3-(3-methyl-2-buten-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: 618.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.1±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 186941.88
ACD/KOC (pH 5.5): 196339.58
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 10270.67
ACD/KOC (pH 7.4): 10786.98
Polar Surface Area: 95 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement