ChemSpider 2D Image | 2,3-Dihydroxy-4-isopropyl-7,10a-dimethyl-8-(3-methyl-2-buten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracenecarbaldehyde | C25H30O5

2,3-Dihydroxy-4-isopropyl-7,10a-dimethyl-8-(3-methyl-2-buten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracenecarbaldehyde

  • Molecular FormulaC25H30O5
  • Average mass410.503 Da
  • Monoisotopic mass410.209320 Da
  • ChemSpider ID35013896

More details:

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

1-Anthracenecarboxaldehyde, 5,8,8a,9,10,10a-hexahydro-2,3-dihydroxy-7,10a-dimethyl-8-(3-methyl-2-buten-1-yl)-4-(1-methylethyl)-9,10-dioxo- [ACD/Index Name]
2,3-Dihydroxy-4-isopropyl-7,10a-dimethyl-8-(3-methyl-2-buten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracencarbaldehyd [German] [ACD/IUPAC Name]
2,3-Dihydroxy-4-isopropyl-7,10a-dimethyl-8-(3-methyl-2-buten-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracenecarbaldehyde [ACD/IUPAC Name]
2,3-Dihydroxy-4-isopropyl-7,10a-diméthyl-8-(3-méthyl-2-butén-1-yl)-9,10-dioxo-5,8,8a,9,10,10a-hexahydro-1-anthracènecarbaldéhyde [French] [ACD/IUPAC Name]
2,3-dihydroxy-4-isopropyl-7,10a-dimethyl-8-(3-methylbut-2-en-1-yl)-9,10-dioxo-8,8a-dihydro-5H-anthracene-1-carbaldehyde
Heliocide H1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 332.3±28.0 °C
Index of Refraction: 1.588
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 102376.33
ACD/KOC (pH 5.5): 106072.38
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 2414.13
ACD/KOC (pH 7.4): 2501.29
Polar Surface Area: 92 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site


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