ChemSpider 2D Image | 8-[(3R)-3,4-Dihydroxy-4-methylpentyl]-3-isopropyl-7-methyl-1,2-naphthalenedione | C20H26O4

8-[(3R)-3,4-Dihydroxy-4-methylpentyl]-3-isopropyl-7-methyl-1,2-naphthalenedione

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID111318731

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Naphthalenedione, 8-[(3R)-3,4-dihydroxy-4-methylpentyl]-7-methyl-3-(1-methylethyl)- [ACD/Index Name]
8-[(3R)-3,4-Dihydroxy-4-méthylpentyl]-3-isopropyl-7-méthyl-1,2-naphtalènedione [French] [ACD/IUPAC Name]
8-[(3R)-3,4-Dihydroxy-4-methylpentyl]-3-isopropyl-7-methyl-1,2-naphthalenedione [ACD/IUPAC Name]
8-[(3R)-3,4-Dihydroxy-4-methylpentyl]-3-isopropyl-7-methyl-1,2-naphthalindion [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 280.3±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.35
ACD/KOC (pH 5.5): 753.09
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.35
ACD/KOC (pH 7.4): 753.09
Polar Surface Area: 75 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 283.2±3.0 cm3

Click to predict properties on the Chemicalize site


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