ChemSpider 2D Image | (3aR,6aS)-5,6-Dimethyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furan-2,4(3H)-dione | C12H16O3

(3aR,6aS)-5,6-Dimethyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furan-2,4(3H)-dione

  • Molecular FormulaC12H16O3
  • Average mass208.254 Da
  • Monoisotopic mass208.109940 Da
  • ChemSpider ID34981164

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-5,6-Dimethyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furan-2,4(3H)-dion [German] [ACD/IUPAC Name]
(3aR,6aS)-5,6-Dimethyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furan-2,4(3H)-dione [ACD/IUPAC Name]
(3aR,6aS)-5,6-Diméthyl-6a-propyl-3a,6a-dihydro-2H-cyclopenta[b]furane-2,4(3H)-dione [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]furan-2,4(3H)-dione, 3a,6a-dihydro-5,6-dimethyl-6a-propyl-, (3aR,6aS)- [ACD/Index Name]
suberosanone A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 364.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 162.7±27.7 °C
Index of Refraction: 1.507
Molar Refractivity: 55.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.98
ACD/KOC (pH 5.5): 180.59
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.98
ACD/KOC (pH 7.4): 180.59
Polar Surface Area: 43 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 185.1±3.0 cm3

Click to predict properties on the Chemicalize site


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