ChemSpider 2D Image | 10'-Methyl-4-(2-methyl-2-propanyl)-6'-propyl-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione | C25H32O4

10'-Methyl-4-(2-methyl-2-propanyl)-6'-propyl-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione

  • Molecular FormulaC25H32O4
  • Average mass396.519 Da
  • Monoisotopic mass396.230072 Da
  • ChemSpider ID21631092

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

10'-Methyl-4-(2-methyl-2-propanyl)-6'-propyl-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione [ACD/IUPAC Name]
Spiro[2H,8H-benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexane]-4,8(3H)-dione, 4'-(1,1-dimethylethyl)-10-methyl-6-propyl- [ACD/Index Name]
1212416-91-5 [RN]
4-tert-butyl-10'-methyl-6'-propyl-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 242.0±30.2 °C
Index of Refraction: 1.567
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 91545.30
ACD/KOC (pH 5.5): 123913.38
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 91545.30
ACD/KOC (pH 7.4): 123913.38
Polar Surface Area: 53 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 342.7±5.0 cm3

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