ChemSpider 2D Image | 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 | C25H32O3

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 FormulaC25H32O3
  • Average mass380.520 Da
  • Monoisotopic mass380.235138 Da
  • ChemSpider ID21857935

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

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- [ACD/Index Name]
1212397-35-7 [RN]
4'-tert-butyl-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: 541.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 236.0±24.7 °C
Index of Refraction: 1.584
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 381211.75
ACD/KOC (pH 5.5): 344010.34
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 381211.75
ACD/KOC (pH 7.4): 344010.34
Polar Surface Area: 36 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 327.4±5.0 cm3

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