ChemSpider 2D Image | 4-{2-[(1R,2R,5Z)-1,2-Dimethyl-5-(5-methyl-5-hexen-1-ylidene)cyclopentyl]ethyl}-5-hydroxy-2(5H)-furanone | C20H30O3

4-{2-[(1R,2R,5Z)-1,2-Dimethyl-5-(5-methyl-5-hexen-1-ylidene)cyclopentyl]ethyl}-5-hydroxy-2(5H)-furanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID40256492

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2(5H)-Furanone, 4-[2-[(1R,2R,5Z)-1,2-dimethyl-5-(5-methyl-5-hexen-1-ylidene)cyclopentyl]ethyl]-5-hydroxy- [ACD/Index Name]
4-{2-[(1R,2R,5Z)-1,2-Dimethyl-5-(5-methyl-5-hexen-1-yliden)cyclopentyl]ethyl}-5-hydroxy-2(5H)-furanon [German] [ACD/IUPAC Name]
4-{2-[(1R,2R,5Z)-1,2-Dimethyl-5-(5-methyl-5-hexen-1-ylidene)cyclopentyl]ethyl}-5-hydroxy-2(5H)-furanone [ACD/IUPAC Name]
4-{2-[(1R,2R,5Z)-1,2-Diméthyl-5-(5-méthyl-5-hexén-1-ylidène)cyclopentyl]éthyl}-5-hydroxy-2(5H)-furanone [French] [ACD/IUPAC 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: 474.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 189.5±21.5 °C
Index of Refraction: 1.544
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1048.36
ACD/KOC (pH 5.5): 5054.48
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1045.81
ACD/KOC (pH 7.4): 5042.20
Polar Surface Area: 47 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 299.9±3.0 cm3

Click to predict properties on the Chemicalize site


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