ChemSpider 2D Image | (3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-isobutoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name) | C23H34O7

(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-isobutoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name)

  • Molecular FormulaC23H34O7
  • Average mass422.512 Da
  • Monoisotopic mass422.230438 Da
  • ChemSpider ID68475870
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-isobutoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol (non-preferred name) [German] [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(4-isobutoxybenzyl)oxy]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole (non-preferred name) [ACD/IUPAC Name]
(3aR,5R,6S,6aR)-5-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]-6-[(4-isobutoxybenzyl)oxy]-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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 190.5±28.6 °C
Index of Refraction: 1.535
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1714.26
ACD/KOC (pH 5.5): 7187.03
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1714.26
ACD/KOC (pH 7.4): 7187.03
Polar Surface Area: 65 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 358.1±5.0 cm3

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