ChemSpider 2D Image | 8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl 2-methylpropanoate | C29H36O8

8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl 2-methylpropanoate

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID8068297

More details:

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

2-Méthylpropanoate de 8,10-dihydroxy-9-(1-hydroxy-2-méthyl-3-butén-2-yl)-2,5,5-triméthyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromén-3-yle [French] [ACD/IUPAC Name]
8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl 2-methylpropanoate [ACD/IUPAC Name]
8,10-Dihydroxy-9-(1-hydroxy-2-methyl-3-buten-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,3,4,4a,5,7,12,12b-octahydro-2H-dibenzo[c,g]chromen-3-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, 1,3,4,4a,5,7,12,12b-octahydro-8,10-dihydroxy-9-[1-(hydroxymethyl)-1-methyl-2-propen-1-yl]-2,5,5-trimethyl-7,12-dioxo-2H-benzo[d]naphtho[2,3-b]pyran-3-yl ester [ACD/Index Name]
naphthablin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 218.3±25.0 °C
Index of Refraction: 1.601
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10383.39
ACD/KOC (pH 5.5): 24646.63
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 476.82
ACD/KOC (pH 7.4): 1131.81
Polar Surface Area: 130 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 393.2±5.0 cm3

Click to predict properties on the Chemicalize site


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