ChemSpider 2D Image | Methyl (5R)-5-[(1E,3E)-1,3-hexadien-1-yl]-2,5-dimethyl-4-oxo-4,5-dihydro-3-furancarboxylate | C14H18O4

Methyl (5R)-5-[(1E,3E)-1,3-hexadien-1-yl]-2,5-dimethyl-4-oxo-4,5-dihydro-3-furancarboxylate

  • Molecular FormulaC14H18O4
  • Average mass250.290 Da
  • Monoisotopic mass250.120514 Da
  • ChemSpider ID28288843

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5R)-5-[(1E,3E)-1,3-Hexadién-1-yl]-2,5-diméthyl-4-oxo-4,5-dihydro-3-furanecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Furancarboxylic acid, 5-[(1E,3E)-1,3-hexadien-1-yl]-4,5-dihydro-2,5-dimethyl-4-oxo-, methyl ester, (5R)- [ACD/Index Name]
Methyl (5R)-5-[(1E,3E)-1,3-hexadien-1-yl]-2,5-dimethyl-4-oxo-4,5-dihydro-3-furancarboxylate [ACD/IUPAC Name]
Methyl-(5R)-5-[(1E,3E)-1,3-hexadien-1-yl]-2,5-dimethyl-4-oxo-4,5-dihydro-3-furancarboxylat [German] [ACD/IUPAC Name]
(+)-gregatin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 346.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 150.4±27.9 °C
Index of Refraction: 1.545
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.11
ACD/KOC (pH 5.5): 480.14
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.11
ACD/KOC (pH 7.4): 480.14
Polar Surface Area: 53 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 220.6±3.0 cm3

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