ChemSpider 2D Image | 5-Hydroxy-6-isobutyryl-2,8,8-trimethyl-2-(4-methyl-3-penten-1-yl)-2,8-dihydro-7H-chromen-7-one | C22H30O4

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

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID24706822

More details:

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

5-Hydroxy-6-isobutyryl-2,8,8-trimethyl-2-(4-methyl-3-penten-1-yl)-2,8-dihydro-7H-chromen-7-on [German] [ACD/IUPAC Name]
5-Hydroxy-6-isobutyryl-2,8,8-trimethyl-2-(4-methyl-3-penten-1-yl)-2,8-dihydro-7H-chromen-7-one [ACD/IUPAC Name]
5-Hydroxy-6-isobutyryl-2,8,8-triméthyl-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-oxopropyl)-2-(4-methyl-3-penten-1-yl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496291/
PETIOLIN A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 472.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 156.2±22.2 °C
Index of Refraction: 1.542
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 107.93
ACD/KOC (pH 5.5): 502.75
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 8.67
Polar Surface Area: 64 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 323.7±5.0 cm3

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