Found 64 results

Search term: MF = 'C_{31}H_{32}O_{5}'
ChemSpider 2D Image | 3-(3-Methylbutyl)-3-{[3-(3-methylbutyl)-4-methylene-1-oxo-1,4-dihydro-2-naphthalenyl]oxy}-1,2,4(3H)-naphthalenetrione | C31H32O5

3-(3-Methylbutyl)-3-{[3-(3-methylbutyl)-4-methylene-1-oxo-1,4-dihydro-2-naphthalenyl]oxy}-1,2,4(3H)-naphthalenetrione

  • Molecular FormulaC31H32O5
  • Average mass484.583 Da
  • Monoisotopic mass484.224976 Da
  • ChemSpider ID26389840

More details:

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

1,2,4(3H)-Naphthalenetrione, 3-[[1,4-dihydro-3-(3-methylbutyl)-4-methylene-1-oxo-2-naphthalenyl]oxy]-3-(3-methylbutyl)- [ACD/Index Name]
3-(3-Methylbutyl)-3-{[3-(3-methylbutyl)-4-methylen-1-oxo-1,4-dihydro-2-naphthalinyl]oxy}-1,2,4(3H)-naphthalintrion [German] [ACD/IUPAC Name]
3-(3-Méthylbutyl)-3-{[3-(3-méthylbutyl)-4-méthylène-1-oxo-1,4-dihydro-2-naphtalényl]oxy}-1,2,4(3H)-naphtalènetrione [French] [ACD/IUPAC Name]
3-(3-Methylbutyl)-3-{[3-(3-methylbutyl)-4-methylene-1-oxo-1,4-dihydro-2-naphthalenyl]oxy}-1,2,4(3H)-naphthalenetrione [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: 654.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 276.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42197.07
ACD/KOC (pH 5.5): 71180.30
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42197.07
ACD/KOC (pH 7.4): 71180.30
Polar Surface Area: 78 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 403.7±5.0 cm3

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