ChemSpider 2D Image | (4E)-6-[(1R,5R,6R)-5-Hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4-methyl-4-hexenoic acid | C14H18O5

(4E)-6-[(1R,5R,6R)-5-Hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4-methyl-4-hexenoic acid

  • Molecular FormulaC14H18O5
  • Average mass266.290 Da
  • Monoisotopic mass266.115417 Da
  • ChemSpider ID44210807

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4E)-6-[(1R,5R,6R)-5-Hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4-methyl-4-hexenoic acid [ACD/IUPAC Name]
(4E)-6-[(1R,5R,6R)-5-Hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4-methyl-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[(1R,5R,6R)-5-hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4-methyl-, (4E)- [ACD/Index Name]
Acide (4E)-6-[(1R,5R,6R)-5-hydroxy-4-méthyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-én-1-yl]-4-méthyl-4-hexénoïque [French] [ACD/IUPAC Name]
Penicyclone E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 189.2±22.2 °C
Index of Refraction: 1.573
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.66
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 203.9±3.0 cm3

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