ChemSpider 2D Image | 2,2'-[(2E)-2-Butene-1,4-diylbis{oxymethylene[(2S,3E)-5-methyl-3-hexene-2,1-diyl]oxy}]bis(tetrahydro-2H-pyran) | C30H52O6

2,2'-[(2E)-2-Butene-1,4-diylbis{oxymethylene[(2S,3E)-5-methyl-3-hexene-2,1-diyl]oxy}]bis(tetrahydro-2H-pyran)

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID9389431
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres


More details:






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

2,2'-[(2E)-2-Buten-1,4-diylbis{oxymethylen[(2S,3E)-5-methyl-3-hexen-2,1-diyl]oxy}]bis(tetrahydro-2H-pyran) [German] [ACD/IUPAC Name]
2,2'-[(2E)-2-Butene-1,4-diylbis{oxymethylene[(2S,3E)-5-methyl-3-hexene-2,1-diyl]oxy}]bis(tetrahydro-2H-pyran) [ACD/IUPAC Name]
2,2'-[(2E)-2-Butène-1,4-diylbis{oxyméthylène[(2S,3E)-5-méthyl-3-hexène-2,1-diyl]oxy}]bis(tétrahydro-2H-pyrane) [French] [ACD/IUPAC Name]
2H-Pyran, 2,2'-[(2E)-2-butene-1,4-diylbis[oxy[(2S)-2-[(1E)-3-methyl-1-buten-1-yl]-3,1-propanediyl]oxy]]bis[tetrahydro- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 579.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 213.0±30.0 °C
Index of Refraction: 1.498
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9349.22
ACD/KOC (pH 5.5): 24203.11
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9349.22
ACD/KOC (pH 7.4): 24203.11
Polar Surface Area: 55 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 501.4±5.0 cm3

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