ChemSpider 2D Image | (2r,4R,5S)-4,5-Dimethyl-2-pentyl-1,3-dioxolane | C10H20O2

(2r,4R,5S)-4,5-Dimethyl-2-pentyl-1,3-dioxolane

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID34984187
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2r,4R,5S)-4,5-Dimethyl-2-pentyl-1,3-dioxolan [German] [ACD/IUPAC Name]
(2r,4R,5S)-4,5-Dimethyl-2-pentyl-1,3-dioxolane [ACD/IUPAC Name]
(2r,4R,5S)-4,5-Diméthyl-2-pentyl-1,3-dioxolane [French] [ACD/IUPAC Name]
1,3-Dioxolane, 4,5-dimethyl-2-pentyl-, (2β,4α,5α)- [ACD/Index Name]
155639-75-1 [RN]
Hexanal butane-2,3-diol acetal
UNII-3X15X3C17Q

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

Density: 0.9±0.1 g/cm3
Boiling Point: 200.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 71.3±12.3 °C
Index of Refraction: 1.416
Molar Refractivity: 49.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 144.80
ACD/KOC (pH 5.5): 1225.45
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 144.80
ACD/KOC (pH 7.4): 1225.45
Polar Surface Area: 18 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 197.9±3.0 cm3

Click to predict properties on the Chemicalize site






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