ChemSpider 2D Image | 7-Hydroxy-4'-(2-methyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-one | C18H24O3

7-Hydroxy-4'-(2-methyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-one

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID21749921

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

7-Hydroxy-4'-(2-methyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-on [German] [ACD/IUPAC Name]
7-Hydroxy-4'-(2-methyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-one [ACD/IUPAC Name]
7-Hydroxy-4'-(2-méthyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-one [French] [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,1'-cyclohexan]-4(3H)-one, 4'-(1,1-dimethylethyl)-7-hydroxy- [ACD/Index Name]
1177835-40-3 [RN]
2197055-03-9 [RN]
4'-tert-butyl-7-hydroxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-one
4'-tert-butyl-7-hydroxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-one
4'-tert-butyl-7-hydroxy-spiro[chromane-2,1'-cyclohexane]-4-one
4'-tert-butyl-7-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 453.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 162.4±22.2 °C
Index of Refraction: 1.566
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5859.45
ACD/KOC (pH 5.5): 17294.36
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4025.53
ACD/KOC (pH 7.4): 11881.48
Polar Surface Area: 47 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 250.3±5.0 cm3

Click to predict properties on the Chemicalize site


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