ChemSpider 2D Image | {(4R,5S)-2,2-Dimethyl-5-[(1Z)-1-propen-1-yl]-1,3-dioxolan-4-yl}methanol | C9H16O3

{(4R,5S)-2,2-Dimethyl-5-[(1Z)-1-propen-1-yl]-1,3-dioxolan-4-yl}methanol

  • Molecular FormulaC9H16O3
  • Average mass172.221 Da
  • Monoisotopic mass172.109940 Da
  • ChemSpider ID31149231
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{(4R,5S)-2,2-Dimethyl-5-[(1Z)-1-propen-1-yl]-1,3-dioxolan-4-yl}methanol [German] [ACD/IUPAC Name]
{(4R,5S)-2,2-Dimethyl-5-[(1Z)-1-propen-1-yl]-1,3-dioxolan-4-yl}methanol [ACD/IUPAC Name]
{(4R,5S)-2,2-Diméthyl-5-[(1Z)-1-propén-1-yl]-1,3-dioxolan-4-yl}méthanol [French] [ACD/IUPAC Name]
1,3-Dioxolane-4-methanol, 2,2-dimethyl-5-[(1Z)-1-propen-1-yl]-, (4R,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 246.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.2±6.0 kJ/mol
Flash Point: 118.1±6.9 °C
Index of Refraction: 1.502
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.53
ACD/KOC (pH 5.5): 200.34
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.53
ACD/KOC (pH 7.4): 200.34
Polar Surface Area: 39 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 163.7±3.0 cm3

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