ChemSpider 2D Image | (3aS,5S,6R,6aS)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(nonyloxy)tetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name) | C21H38O6

(3aS,5S,6R,6aS)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(nonyloxy)tetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name)

  • Molecular FormulaC21H38O6
  • Average mass386.523 Da
  • Monoisotopic mass386.266846 Da
  • ChemSpider ID113598578

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aS,5S,6R,6aS)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(nonyloxy)tetrahydrofuro[2,3-d][1,3]dioxol (non-preferred name) [German] [ACD/IUPAC Name]
(3aS,5S,6R,6aS)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(nonyloxy)tetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name) [ACD/IUPAC Name]
(3aS,5S,6R,6aS)-5-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyl-6-(nonyloxy)tétrahydrofuro[2,3-d][1,3]dioxole (non-preferred name) [French] [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: 437.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 166.7±28.6 °C
Index of Refraction: 1.490
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35337.31
ACD/KOC (pH 5.5): 62691.59
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35337.31
ACD/KOC (pH 7.4): 62691.59
Polar Surface Area: 55 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 357.8±5.0 cm3

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