ChemSpider 2D Image | {[4'-(2-Methyl-2-propanyl)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}acetic acid | C20H26O5

{[4'-(2-Methyl-2-propanyl)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}acetic acid

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID21749925

  • 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)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}acetic acid [ACD/IUPAC Name]
{[4'-(2-Methyl-2-propanyl)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[4'-(1,1-dimethylethyl)-3,4-dihydro-4-oxospiro[2H-1-benzopyran-2,1'-cyclohexan]-7-yl]oxy]- [ACD/Index Name]
Acide {[4'-(2-méthyl-2-propanyl)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}acétique [French] [ACD/IUPAC Name]
[(4'-tert-butyl-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetic acid
{4'-tert-butyl-4-oxo-3H-spiro[1-benzopyran-2,1'-cyclohexane]-7-yloxy}acetic acid
1217602-92-0 [RN]
2-(4'-tert-butyl-4-oxospiro[3H-chromene-2,1'-cyclohexane]-7-yl)oxyacetic acid
2-(4'-tert-butyl-4-oxo-spiro[chromane-2,1'-cyclohexane]-7-yl)oxyacetic acid
acetic acid, [[4'(1,1-dimethylethyl)-3,4-dihydro-4-oxospiro[2H-1-benzopyran-2,1'-cyclohexan]-7-yl]oxy]
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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: 523.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 183.5±23.6 °C
Index of Refraction: 1.562
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 8.75
ACD/KOC (pH 5.5): 33.88
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 73 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 285.7±5.0 cm3

Click to predict properties on the Chemicalize site


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