ChemSpider 2D Image | 7-[2-(4-Hydroxy-1-piperidinyl)-2-oxoethoxy]-4'-(2-methyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-one | C25H35NO5

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

  • Molecular FormulaC25H35NO5
  • Average mass429.549 Da
  • Monoisotopic mass429.251526 Da
  • ChemSpider ID21757814

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

7-[2-(4-Hydroxy-1-piperidinyl)-2-oxoethoxy]-4'-(2-methyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-on [German] [ACD/IUPAC Name]
7-[2-(4-Hydroxy-1-piperidinyl)-2-oxoethoxy]-4'-(2-methyl-2-propanyl)spiro[chromene-2,1'-cyclohexan]-4(3H)-one [ACD/IUPAC Name]
7-[2-(4-Hydroxy-1-pipéridinyl)-2-oxoéthoxy]-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-[2-(4-hydroxy-1-piperidinyl)-2-oxoethoxy]- [ACD/Index Name]
4'-tert-butyl-7-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]spiro[chromene-2,1'-cyclohexan]-4(3H)-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: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1086.73
ACD/KOC (pH 5.5): 5186.27
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1086.73
ACD/KOC (pH 7.4): 5186.27
Polar Surface Area: 76 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 354.6±5.0 cm3

Click to predict properties on the Chemicalize site


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