ChemSpider 2D Image | 4'-(2-Methyl-2-propanyl)-1,2,3,4-tetrahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one | C25H30O3

4'-(2-Methyl-2-propanyl)-1,2,3,4-tetrahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one

  • Molecular FormulaC25H30O3
  • Average mass378.504 Da
  • Monoisotopic mass378.219482 Da
  • ChemSpider ID31024344

More details:

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

4'-(2-Methyl-2-propanyl)-1,2,3,4-tetrahydro-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-tetrahydro- [ACD/Index Name]
1177803-26-7 [RN]
4'-(tert-butyl)-3,4-dihydro-1H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5(2H)-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: 544.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 237.5±24.7 °C
Index of Refraction: 1.599
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 186958.70
ACD/KOC (pH 5.5): 206581.59
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 186958.70
ACD/KOC (pH 7.4): 206581.59
Polar Surface Area: 36 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 320.7±5.0 cm3

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