ChemSpider 2D Image | (1S,2R,3R)-1,4-Bis(1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanol | C20H22O5

(1S,2R,3R)-1,4-Bis(1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanol

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID24654151

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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(1S,2R,3R)-1,4-Bis(1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanol [German] [ACD/IUPAC Name]
(1S,2R,3R)-1,4-Bis(1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanol [ACD/IUPAC Name]
(1S,2R,3R)-1,4-Bis(1,3-benzodioxol-5-yl)-2,3-diméthyl-1-butanol [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-butanol, α-1,3-benzodioxol-5-yl-β,γ-dimethyl-, (αS,βR,γR)- [ACD/Index Name]
MAGNOVATIN A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 499.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.1±28.4 °C
Index of Refraction: 1.601
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 407.49
ACD/KOC (pH 5.5): 2569.95
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 407.49
ACD/KOC (pH 7.4): 2569.95
Polar Surface Area: 57 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 270.3±3.0 cm3

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