ChemSpider 2D Image | 5-Hydroxy-6-isobutyryl-8,8-dimethyl-4-propyl-2H,8H-pyrano[2,3-f]chromen-2-one | C21H24O5

5-Hydroxy-6-isobutyryl-8,8-dimethyl-4-propyl-2H,8H-pyrano[2,3-f]chromen-2-one

  • Molecular FormulaC21H24O5
  • Average mass356.412 Da
  • Monoisotopic mass356.162384 Da
  • ChemSpider ID30777035

More details:

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

2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 5-hydroxy-8,8-dimethyl-6-(2-methyl-1-oxopropyl)-4-propyl- [ACD/Index Name]
34107-36-3 [RN]
5-Hydroxy-6-isobutyryl-8,8-dimethyl-4-propyl-2H,8H-pyrano[2,3-f]chromen-2-on [German] [ACD/IUPAC Name]
5-Hydroxy-6-isobutyryl-8,8-dimethyl-4-propyl-2H,8H-pyrano[2,3-f]chromen-2-one [ACD/IUPAC Name]
5-Hydroxy-6-isobutyryl-8,8-diméthyl-4-propyl-2H,8H-pyrano[2,3-f]chromén-2-one [French] [ACD/IUPAC Name]
5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propyl-2H,8H-pyrano[2,3-f]chromen-2-one
5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propyl-2H,8H-pyrano[2,3-h]chromen-2-one
5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propylpyrano[2,3-f]chromen-2-one
5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propylpyrano[2,3-h]chromen-2-one
Mammea B/AD cyclo D

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 194.5±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 10632.44
ACD/KOC (pH 5.5): 20591.85
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 242.60
ACD/KOC (pH 7.4): 469.85
Polar Surface Area: 73 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 302.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement