ChemSpider 2D Image | (5S,6R)-5-Isopropenyl-3,6-dimethyl-6-vinyl-6,7-dihydro-1-benzofuran-4(5H)-one | C15H18O2

(5S,6R)-5-Isopropenyl-3,6-dimethyl-6-vinyl-6,7-dihydro-1-benzofuran-4(5H)-one

  • Molecular FormulaC15H18O2
  • Average mass230.302 Da
  • Monoisotopic mass230.130676 Da
  • ChemSpider ID113609820

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6R)-5-Isopropenyl-3,6-dimethyl-6-vinyl-6,7-dihydro-1-benzofuran-4(5H)-on [German] [ACD/IUPAC Name]
(5S,6R)-5-Isopropenyl-3,6-dimethyl-6-vinyl-6,7-dihydro-1-benzofuran-4(5H)-one [ACD/IUPAC Name]
(5S,6R)-5-Isopropényl-3,6-diméthyl-6-vinyl-6,7-dihydro-1-benzofuran-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, (5S,6R)- [ACD/Index Name]
20493-56-5 [RN]
Curzerenone [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 148.2±20.6 °C
Index of Refraction: 1.550
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 940.95
ACD/KOC (pH 5.5): 4678.19
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 940.95
ACD/KOC (pH 7.4): 4678.19
Polar Surface Area: 30 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 216.6±3.0 cm3

Click to predict properties on the Chemicalize site


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