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

3-Chloro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-2-[(2,4,4-trimethyl-1-cyclohexen-1-yl)methyl]-2,3-dihydro-1,4-naphthalenedione

  • Molecular FormulaC25H31ClO5
  • Average mass446.964 Da
  • Monoisotopic mass446.186005 Da
  • ChemSpider ID110416472

More details:

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

1,4-Naphthalenedione, 3-chloro-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-2-[(2,4,4-trimethyl-1-cyclohexen-1-yl)methyl]- [ACD/Index Name]
3-Chlor-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-2-[(2,4,4-trimethyl-1-cyclohexen-1-yl)methyl]-2,3-dihydro-1,4-naphthalindion [German] [ACD/IUPAC Name]
3-Chloro-2,5,7-trihydroxy-3-(3-méthyl-2-butén-1-yl)-2-[(2,4,4-triméthyl-1-cyclohexén-1-yl)méthyl]-2,3-dihydro-1,4-naphtalènedione [French] [ACD/IUPAC Name]
3-Chloro-2,5,7-trihydroxy-3-(3-methyl-2-buten-1-yl)-2-[(2,4,4-trimethyl-1-cyclohexen-1-yl)methyl]-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: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 7.58
ACD/BCF (pH 5.5): 326597.13
ACD/KOC (pH 5.5): 293102.53
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 18462.26
ACD/KOC (pH 7.4): 16568.84
Polar Surface Area: 95 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 345.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement