ChemSpider 2D Image | Ethyl [(6R,7S,10R)-7-isopropyl-4-{[(2S,4S,6S,7S,10R)-7-isopropyl-10-methyl-4-vinyl-1,5-dioxaspiro[5.5]undec-2-yl]methyl}-10-methyl-1,5-dioxaspiro[5.5]undec-2-yl]acetate | C33H56O6

Ethyl [(6R,7S,10R)-7-isopropyl-4-{[(2S,4S,6S,7S,10R)-7-isopropyl-10-methyl-4-vinyl-1,5-dioxaspiro[5.5]undec-2-yl]methyl}-10-methyl-1,5-dioxaspiro[5.5]undec-2-yl]acetate

  • Molecular FormulaC33H56O6
  • Average mass548.794 Da
  • Monoisotopic mass548.407715 Da
  • ChemSpider ID9126958

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

[(6R,7S,10R)-7-Isopropyl-4-{[(2S,4S,6S,7S,10R)-7-isopropyl-10-méthyl-4-vinyl-1,5-dioxaspiro[5.5]undéc-2-yl]méthyl}-10-méthyl-1,5-dioxaspiro[5.5]undéc-2-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1,5-Dioxaspiro[5.5]undecane-2-acetic acid, 4-[[(2S,4S,6S,7S,10R)-4-ethenyl-10-methyl-7-(1-methylethyl)-1,5-dioxaspiro[5.5]undec-2-yl]methyl]-10-methyl-7-(1-methylethyl)-, ethyl ester, (6R,7S,10R)- [ACD/Index Name]
Ethyl [(6R,7S,10R)-7-isopropyl-4-{[(2S,4S,6S,7S,10R)-7-isopropyl-10-methyl-4-vinyl-1,5-dioxaspiro[5.5]undec-2-yl]methyl}-10-methyl-1,5-dioxaspiro[5.5]undec-2-yl]acetate [ACD/IUPAC Name]
Ethyl-[(6R,7S,10R)-7-isopropyl-4-{[(2S,4S,6S,7S,10R)-7-isopropyl-10-methyl-4-vinyl-1,5-dioxaspiro[5.5]undec-2-yl]methyl}-10-methyl-1,5-dioxaspiro[5.5]undec-2-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 245.5±28.8 °C
Index of Refraction: 1.507
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 933992.94
ACD/KOC (pH 5.5): 653342.25
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 933992.94
ACD/KOC (pH 7.4): 653342.25
Polar Surface Area: 63 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 521.4±5.0 cm3

Click to predict properties on the Chemicalize site


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