ChemSpider 2D Image | Methyl 3-methoxy-4-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}cyclohexyl)methoxy]benzoate | C21H30O6

Methyl 3-methoxy-4-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}cyclohexyl)methoxy]benzoate

  • Molecular FormulaC21H30O6
  • Average mass378.459 Da
  • Monoisotopic mass378.204254 Da
  • ChemSpider ID26052928

More details:

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

1299607-51-4 [RN]
3-Méthoxy-4-[(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}cyclohexyl)méthoxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[(1,1-dimethylethoxy)carbonyl]cyclohexyl]methoxy]-3-methoxy-, methyl ester [ACD/Index Name]
Methyl 3-methoxy-4-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}cyclohexyl)methoxy]benzoate [ACD/IUPAC Name]
Methyl-3-methoxy-4-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}cyclohexyl)methoxy]benzoat [German] [ACD/IUPAC Name]
methyl 3-methoxy-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]methoxy]benzoate
Methyl 4-((4-(tert-butoxycarbonyl)cyclohexyl)methoxy)-3-methoxybenzoate
Methyl 4-({4-[(tert-butoxy)carbonyl]-cyclohexyl}methoxy)-3-methoxybenzoate
methyl4-({4-[(tert-butoxy)carbonyl]-cyclohexyl}methoxy)-3-methoxybenzoate
MFCD18909624 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 202.4±23.2 °C
Index of Refraction: 1.502
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1884.85
ACD/KOC (pH 5.5): 7692.02
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1884.85
ACD/KOC (pH 7.4): 7692.02
Polar Surface Area: 71 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 345.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement