ChemSpider 2D Image | 3-[(2E)-4-Hydroxy-2-buten-2-yl]-5,5,8a-trimethyl-3,4,4a,8a-tetrahydro-1,2-benzodioxin-6(5H)-one | C15H22O4

3-[(2E)-4-Hydroxy-2-buten-2-yl]-5,5,8a-trimethyl-3,4,4a,8a-tetrahydro-1,2-benzodioxin-6(5H)-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID24633667

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1,2-Benzodioxin-6(5H)-one, 3,4,4a,8a-tetrahydro-3-[(1E)-3-hydroxy-1-methyl-1-propen-1-yl]-5,5,8a-trimethyl- [ACD/Index Name]
3-[(2E)-4-Hydroxy-2-buten-2-yl]-5,5,8a-trimethyl-3,4,4a,8a-tetrahydro-1,2-benzodioxin-6(5H)-on [German] [ACD/IUPAC Name]
3-[(2E)-4-Hydroxy-2-buten-2-yl]-5,5,8a-trimethyl-3,4,4a,8a-tetrahydro-1,2-benzodioxin-6(5H)-one [ACD/IUPAC Name]
3-[(2E)-4-Hydroxy-2-butén-2-yl]-5,5,8a-triméthyl-3,4,4a,8a-tétrahydro-1,2-benzodioxin-6(5H)-one [French] [ACD/IUPAC Name]
okundoperoxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 364.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 128.1±21.4 °C
Index of Refraction: 1.505
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.54
ACD/KOC (pH 5.5): 353.96
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.54
ACD/KOC (pH 7.4): 353.96
Polar Surface Area: 56 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 241.5±3.0 cm3

Click to predict properties on the Chemicalize site


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