ChemSpider 2D Image | (3aS,5S,6R,6aS)-6-Butoxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name) | C16H28O6

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

  • Molecular FormulaC16H28O6
  • Average mass316.390 Da
  • Monoisotopic mass316.188599 Da
  • ChemSpider ID113598571

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aS,5S,6R,6aS)-6-Butoxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol (non-preferred name) [German] [ACD/IUPAC Name]
(3aS,5S,6R,6aS)-6-Butoxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name) [ACD/IUPAC Name]
(3aS,5S,6R,6aS)-6-Butoxy-5-[(4R)-2,2-diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyltétrahydrofuro[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: 366.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 142.2±27.8 °C
Index of Refraction: 1.492
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.40
ACD/KOC (pH 5.5): 1277.11
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.40
ACD/KOC (pH 7.4): 1277.11
Polar Surface Area: 55 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 276.8±5.0 cm3

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