ChemSpider 2D Image | 5-Hydroxy-2,8,8-trimethyl-6-(2-methylbutanoyl)-2-(4-methyl-3-penten-1-yl)-2,8-dihydro-7H-chromen-7-one | C23H32O4

5-Hydroxy-2,8,8-trimethyl-6-(2-methylbutanoyl)-2-(4-methyl-3-penten-1-yl)-2,8-dihydro-7H-chromen-7-one

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID24720259

More details:

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

5-Hydroxy-2,8,8-trimethyl-6-(2-methylbutanoyl)-2-(4-methyl-3-penten-1-yl)-2,8-dihydro-7H-chromen-7-on [German] [ACD/IUPAC Name]
5-Hydroxy-2,8,8-trimethyl-6-(2-methylbutanoyl)-2-(4-methyl-3-penten-1-yl)-2,8-dihydro-7H-chromen-7-one [ACD/IUPAC Name]
5-Hydroxy-2,8,8-triméthyl-6-(2-méthylbutanoyl)-2-(4-méthyl-3-pentén-1-yl)-2,8-dihydro-7H-chromén-7-one [French] [ACD/IUPAC Name]
7H-1-Benzopyran-7-one, 2,8-dihydro-5-hydroxy-2,8,8-trimethyl-6-(2-methyl-1-oxobutyl)-2-(4-methyl-3-penten-1-yl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL524835/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 158.4±22.2 °C
Index of Refraction: 1.539
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 222.20
ACD/KOC (pH 5.5): 842.98
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 3.83
ACD/KOC (pH 7.4): 14.54
Polar Surface Area: 64 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 339.9±5.0 cm3

Click to predict properties on the Chemicalize site


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