ChemSpider 2D Image | 11-Hydroxy-7-methyl-4'-(2-methyl-2-propanyl)-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one | C26H34O4

11-Hydroxy-7-methyl-4'-(2-methyl-2-propanyl)-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one

  • Molecular FormulaC26H34O4
  • Average mass410.546 Da
  • Monoisotopic mass410.245697 Da
  • ChemSpider ID21857936

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

11-Hydroxy-7-methyl-4'-(2-methyl-2-propanyl)-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one [ACD/IUPAC Name]
Spiro[5H,9H-benzo[d]benzo[1,2-b:5,4-b']dipyran-9,1'-cyclohexan]-5-one, 4'-(1,1-dimethylethyl)-1,2,3,4,10,11-hexahydro-11-hydroxy-7-methyl- [ACD/Index Name]
4'-tert-butyl-11-hydroxy-7-methyl-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 190.4±23.6 °C
Index of Refraction: 1.594
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76942.30
ACD/KOC (pH 5.5): 109420.15
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 76942.30
ACD/KOC (pH 7.4): 109420.15
Polar Surface Area: 56 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 340.9±5.0 cm3

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