ChemSpider 2D Image | 2-Methyl-2-propanyl (2E)-2,3-dideoxy-4,5-O-isopropylidene-D-erythro-hex-2-enonate | C13H22O5

2-Methyl-2-propanyl (2E)-2,3-dideoxy-4,5-O-isopropylidene-D-erythro-hex-2-enonate

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID31149230
  • 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

(2E)-2,3-Didésoxy-4,5-O-isopropylidène-D-érythro-hex-2-énonate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2E)-2,3-dideoxy-4,5-O-isopropylidene-D-erythro-hex-2-enonate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2E)-2,3-didesoxy-4,5-O-isopropyliden-D-erythro-hex-2-enonat [German] [ACD/IUPAC Name]
D-erythro-Hex-2-enonic acid, 2,3-dideoxy-4,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 348.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.7±6.0 kJ/mol
Flash Point: 122.5±17.2 °C
Index of Refraction: 1.500
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.69
ACD/KOC (pH 5.5): 293.83
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.69
ACD/KOC (pH 7.4): 293.83
Polar Surface Area: 65 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 233.2±3.0 cm3

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