Found 2 results

Search term: GXRBKDQCWNWEHB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6R,7R)-7-Isopropenyl-3,6-dimethyl-6-vinyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one | C15H20O2

(6R,7R)-7-Isopropenyl-3,6-dimethyl-6-vinyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID28282929

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
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(6R,7R)-7-Isopropenyl-3,6-dimethyl-6-vinyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-on [German] [ACD/IUPAC Name]
(6R,7R)-7-Isopropenyl-3,6-dimethyl-6-vinyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one [ACD/IUPAC Name]
(6R,7R)-7-Isopropényl-3,6-diméthyl-6-vinyl-5,6,7,7a-tétrahydro-1-benzofuran-2(4H)-one [French] [ACD/IUPAC Name]
2(4H)-Benzofuranone, 6-ethenyl-5,6,7,7a-tetrahydro-3,6-dimethyl-7-(1-methylethenyl)-, (6R,7R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 357.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 149.3±25.3 °C
Index of Refraction: 1.511
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.62
ACD/KOC (pH 5.5): 1693.93
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.62
ACD/KOC (pH 7.4): 1693.93
Polar Surface Area: 26 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 33.1±5.0 dyne/cm
Molar Volume: 226.8±5.0 cm3

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