ChemSpider 2D Image | 5'-{[(4-Butoxybenzyl)oxy]methyl}tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane] | C29H42O7

5'-{[(4-Butoxybenzyl)oxy]methyl}tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]

  • Molecular FormulaC29H42O7
  • Average mass502.640 Da
  • Monoisotopic mass502.293060 Da
  • ChemSpider ID3014050

More details:

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

5'-{[(4-Butoxybenzyl)oxy]methyl}tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 239.1±30.0 °C
Index of Refraction: 1.562
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 298219.44
ACD/KOC (pH 5.5): 288567.25
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 298219.44
ACD/KOC (pH 7.4): 288567.25
Polar Surface Area: 65 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 416.5±5.0 cm3

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