ChemSpider 2D Image | 3-(14-{3-[(3Z)-3-Hexadecen-1-yl]-2-oxiranyl}tetradecyl)-5-methyl-2(5H)-furanone | C37H66O3

3-(14-{3-[(3Z)-3-Hexadecen-1-yl]-2-oxiranyl}tetradecyl)-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H66O3
  • Average mass558.918 Da
  • Monoisotopic mass558.501221 Da
  • ChemSpider ID8682451

  • Double-bond stereo - Double-bond stereo

More details:

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

2(5H)-Furanone, 3-[14-[3-[(3Z)-3-hexadecen-1-yl]oxiranyl]tetradecyl]-5-methyl- [ACD/Index Name]
3-(14-{3-[(3Z)-3-Hexadecen-1-yl]-2-oxiranyl}tetradecyl)-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
3-(14-{3-[(3Z)-3-Hexadecen-1-yl]-2-oxiranyl}tetradecyl)-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
3-(14-{3-[(3Z)-3-Hexadécén-1-yl]-2-oxiranyl}tétradécyl)-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
3-(14-{3-[(3Z)-hexadec-3-en-1-yl]oxiran-2-yl}tetradecyl)-5-methyl-5H-furan-2-one
Epomusenin A

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

Density: 0.9±0.1 g/cm3
Boiling Point: 646.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 285.4±18.6 °C
Index of Refraction: 1.481
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 14.31
ACD/LogD (pH 5.5): 13.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 39 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 605.8±3.0 cm3

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