ChemSpider 2D Image | (4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate | C16H22O7

(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate

  • Molecular FormulaC16H22O7
  • Average mass326.342 Da
  • Monoisotopic mass326.136566 Da
  • ChemSpider ID22912680
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-Buténoate de (4E)-7-acétoxy-6-hydroxy-2-méthyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxécin-3-yle [French] [ACD/IUPAC Name]
(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate [ACD/IUPAC Name]
(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl-(2E)-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, (4E)-7-(acetyloxy)-3,6,7,8,9,10-hexahydro-6-hydroxy-2-methyl-10-oxo-2H-oxecin-3-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 168.2±22.2 °C
Index of Refraction: 1.513
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.99
ACD/KOC (pH 5.5): 110.01
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.99
ACD/KOC (pH 7.4): 110.01
Polar Surface Area: 99 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 269.5±5.0 cm3

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