ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one | C24H30O3

4-(2-Methyl-2-propanyl)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one

  • Molecular FormulaC24H30O3
  • Average mass366.493 Da
  • Monoisotopic mass366.219482 Da
  • ChemSpider ID21857940

  • 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)-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-one [ACD/IUPAC Name]
Spiro[cyclohexane-1,8'-[8H]cyclopenta[d]benzo[1,2-b:5,4-b']dipyran]-4'(1'H)-one, 4-(1,1-dimethylethyl)-2',3',9',10'-tetrahydro- [ACD/Index Name]
1217722-04-7 [RN]
4-tert-butyl-2',3',9',10'-tetrahydrospiro[cyclohexane-1,8'-cyclopenta[c]pyrano[3,2-g]chromen]-4'(1'H)-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: 529.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 230.4±24.7 °C
Index of Refraction: 1.590
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 219299.08
ACD/KOC (pH 5.5): 231573.77
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 219299.08
ACD/KOC (pH 7.4): 231573.77
Polar Surface Area: 36 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 311.2±5.0 cm3

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