ChemSpider 2D Image | (5S)-5-[(2Z,6S,7E,9E)-13-(3-Furyl)-2,6,10-trimethyl-2,7,9-tridecatrien-1-yl]-4-hydroxy-3-methyl-2(5H)-furanone | C25H34O4

(5S)-5-[(2Z,6S,7E,9E)-13-(3-Furyl)-2,6,10-trimethyl-2,7,9-tridecatrien-1-yl]-4-hydroxy-3-methyl-2(5H)-furanone

  • Molecular FormulaC25H34O4
  • Average mass398.535 Da
  • Monoisotopic mass398.245697 Da
  • ChemSpider ID29213128

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(2Z,6S,7E,9E)-13-(3-Furyl)-2,6,10-trimethyl-2,7,9-tridecatrien-1-yl]-4-hydroxy-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(2Z,6S,7E,9E)-13-(3-Furyl)-2,6,10-trimethyl-2,7,9-tridecatrien-1-yl]-4-hydroxy-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-[(2Z,6S,7E,9E)-13-(3-Furyl)-2,6,10-triméthyl-2,7,9-tridécatrién-1-yl]-4-hydroxy-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(2Z,6S,7E,9E)-13-(3-furanyl)-2,6,10-trimethyl-2,7,9-tridecatrien-1-yl]-4-hydroxy-3-methyl-, (5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 284.1±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 3206.33
ACD/KOC (pH 5.5): 5341.13
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 57.23
ACD/KOC (pH 7.4): 95.34
Polar Surface Area: 60 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 375.5±3.0 cm3

Click to predict properties on the Chemicalize site


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