ChemSpider 2D Image | 2-Hydroxy-4-isopropyl-3-methoxy-10a-methyl-7-(4-methyl-3-penten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracenecarbaldehyde | C26H32O5

2-Hydroxy-4-isopropyl-3-methoxy-10a-methyl-7-(4-methyl-3-penten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracenecarbaldehyde

  • Molecular FormulaC26H32O5
  • Average mass424.529 Da
  • Monoisotopic mass424.224976 Da
  • ChemSpider ID35015011

More details:

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

1-Anthracenecarboxaldehyde, 5,8,8a,9,10,10a-hexahydro-2-hydroxy-3-methoxy-10a-methyl-4-(1-methylethyl)-7-(4-methyl-3-penten-1-yl)-9,10-dioxo- [ACD/Index Name]
2-Hydroxy-4-isopropyl-3-methoxy-10a-methyl-7-(4-methyl-3-penten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracencarbaldehyd [German] [ACD/IUPAC Name]
2-Hydroxy-4-isopropyl-3-methoxy-10a-methyl-7-(4-methyl-3-penten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracenecarbaldehyde [ACD/IUPAC Name]
2-Hydroxy-4-isopropyl-3-méthoxy-10a-méthyl-7-(4-méthyl-3-pentén-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracènecarbaldéhyde [French] [ACD/IUPAC Name]
2-hydroxy-3-methoxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-4-(propan-2-yl)-5,8,8a,9,10,10a-hexahydroanthracene-1-carbaldehyde
2-hydroxy-4-isopropyl-3-methoxy-10a-methyl-7-(4-methylpent-3-en-1-yl)-9,10-dioxo-8,8a-dihydro-5H-anthracene-1-carbaldehyde
69734-89-0 [RN]
Heliocide B2

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

  • Miscellaneous

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 197.1±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.09
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 65856.52
ACD/KOC (pH 5.5): 82221.64
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 1863.77
ACD/KOC (pH 7.4): 2326.91
Polar Surface Area: 81 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 368.5±3.0 cm3

Click to predict properties on the Chemicalize site


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