ChemSpider 2D Image | Diethyl (2E,6S,7R)-6,7-dihydroxy-2-octenedioate | C12H20O6

Diethyl (2E,6S,7R)-6,7-dihydroxy-2-octenedioate

  • Molecular FormulaC12H20O6
  • Average mass260.284 Da
  • Monoisotopic mass260.125977 Da
  • ChemSpider ID30992551
  • 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,6S,7R)-6,7-Dihydroxy-2-octènedioate de diéthyle [French] [ACD/IUPAC Name]
2-Octenedioic acid, 6,7-dihydroxy-, diethyl ester, (2E,6S,7R)- [ACD/Index Name]
Diethyl (2E,6S,7R)-6,7-dihydroxy-2-octenedioate [ACD/IUPAC Name]
Diethyl-(2E,6S,7R)-6,7-dihydroxy-2-octendioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.8±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 145.9±18.3 °C
Index of Refraction: 1.488
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 39.77
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 39.77
Polar Surface Area: 93 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 223.0±3.0 cm3

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