ChemSpider 2D Image | (5S)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-7-oxo-3-nonen-1-yl]-2(5H)-furanone | C21H26O5

(5S)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-7-oxo-3-nonen-1-yl]-2(5H)-furanone

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID78441726

  • 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)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-7-oxo-3-nonen-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-7-oxo-3-nonen-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-(2,5-Dihydroxyphényl)-3-[(3E)-4,8-diméthyl-7-oxo-3-nonén-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-(2,5-dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-7-oxo-3-nonen-1-yl]-, (5S)- [ACD/Index Name]
(-)-ganotheaecolumol F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 197.7±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.01
ACD/KOC (pH 5.5): 713.47
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.54
ACD/KOC (pH 7.4): 708.47
Polar Surface Area: 84 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 305.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement