ChemSpider 2D Image | 6-Hydroxy-2-{[3-(2-hydroxy-2-propanyl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]carbonyl}-3-(3-methyl-2-buten-1-yl)benzaldehyde | C25H28O6

6-Hydroxy-2-{[3-(2-hydroxy-2-propanyl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]carbonyl}-3-(3-methyl-2-buten-1-yl)benzaldehyde

  • Molecular FormulaC25H28O6
  • Average mass424.486 Da
  • Monoisotopic mass424.188599 Da
  • ChemSpider ID24715608

More details:

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

6-Hydroxy-2-{[3-(2-hydroxy-2-propanyl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]carbonyl}-3-(3-methyl-2-buten-1-yl)benzaldehyd [German] [ACD/IUPAC Name]
6-Hydroxy-2-{[3-(2-hydroxy-2-propanyl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]carbonyl}-3-(3-methyl-2-buten-1-yl)benzaldehyde [ACD/IUPAC Name]
6-Hydroxy-2-{[3-(2-hydroxy-2-propanyl)-7-méthyl-2,3-dihydro-1,4-benzodioxin-5-yl]carbonyl}-3-(3-méthyl-2-butén-1-yl)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2-[[2,3-dihydro-3-(1-hydroxy-1-methylethyl)-7-methyl-1,4-benzodioxin-5-yl]carbonyl]-6-hydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515063/
TENELLONE B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 645.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 219.5±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1915.57
ACD/KOC (pH 5.5): 7749.06
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 893.09
ACD/KOC (pH 7.4): 3612.83
Polar Surface Area: 93 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 345.8±3.0 cm3

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