ChemSpider 2D Image | (5S)-3-(13Z,17Z,21Z)-13,17,21-Dotriacontatrien-1-yl-5-methyl-2(5H)-furanone | C37H64O2

(5S)-3-(13Z,17Z,21Z)-13,17,21-Dotriacontatrien-1-yl-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H64O2
  • Average mass540.903 Da
  • Monoisotopic mass540.490601 Da
  • ChemSpider ID103882802

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-3-(13Z,17Z,21Z)-13,17,21-Dotriacontatrien-1-yl-5-methyl-2(5H)-furanone
(5S)-3-[(13Z,17Z,21Z)-13,17,21-Dotriacontatrien-1-yl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13Z,17Z,21Z)-13,17,21-Dotriacontatrien-1-yl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13Z,17Z,21Z)-13,17,21-Dotriacontatrién-1-yl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13Z,17Z,21Z)-13,17,21-dotriacontatrien-1-yl]-5-methyl-, (5S)- [ACD/Index Name]
206131-76-2 [RN]
(2S)-4-[(13Z,17Z,21Z)-dotriaconta-13,17,21-trienyl]-2-methyl-2H-furan-5-one
Chatenaytrienin-4

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

Density: 0.9±0.1 g/cm3
Boiling Point: 632.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 264.6±20.3 °C
Index of Refraction: 1.487
Molar Refractivity: 173.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 14.91
ACD/LogD (pH 5.5): 13.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 601.2±3.0 cm3

Click to predict properties on the Chemicalize site


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