ChemSpider 2D Image | (4S,5S)-5-{(1S,2R,4R,5R)-4-[(1E)-1-Buten-1-yl]-2-ethyl-2-hydroxy-5-methylcyclopentyl}-5-ethyl-4-hydroxydihydro-2(3H)-furanone | C18H30O4

(4S,5S)-5-{(1S,2R,4R,5R)-4-[(1E)-1-Buten-1-yl]-2-ethyl-2-hydroxy-5-methylcyclopentyl}-5-ethyl-4-hydroxydihydro-2(3H)-furanone

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID29416151

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,5S)-5-{(1S,2R,4R,5R)-4-[(1E)-1-Buten-1-yl]-2-ethyl-2-hydroxy-5-methylcyclopentyl}-5-ethyl-4-hydroxydihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(4S,5S)-5-{(1S,2R,4R,5R)-4-[(1E)-1-Buten-1-yl]-2-ethyl-2-hydroxy-5-methylcyclopentyl}-5-ethyl-4-hydroxydihydro-2(3H)-furanone [ACD/IUPAC Name]
(4S,5S)-5-{(1S,2R,4R,5R)-4-[(1E)-1-Butén-1-yl]-2-éthyl-2-hydroxy-5-méthylcyclopentyl}-5-éthyl-4-hydroxydihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-[(1S,2R,4R,5R)-4-[(1E)-1-buten-1-yl]-2-ethyl-2-hydroxy-5-methylcyclopentyl]-5-ethyldihydro-4-hydroxy-, (4S,5S)- [ACD/Index Name]
simplextone C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 156.2±22.2 °C
Index of Refraction: 1.548
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.86
ACD/KOC (pH 5.5): 742.10
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.86
ACD/KOC (pH 7.4): 742.10
Polar Surface Area: 67 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 277.0±3.0 cm3

Click to predict properties on the Chemicalize site


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