ChemSpider 2D Image | (4aS,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one | C10H14O2

(4aS,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID30772388
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4aS,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-on [German] [ACD/IUPAC Name]
(4aS,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one [ACD/IUPAC Name]
(4aS,7aR)-4,7-Diméthyl-5,6,7,7a-tétrahydrocyclopenta[c]pyran-1(4aH)-one [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aS,7aR)- [ACD/Index Name]
Nepetalactone (4a«α», 7«β», 7a«α»)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 270.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 107.7±18.9 °C
Index of Refraction: 1.485
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.72
ACD/KOC (pH 5.5): 345.73
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.72
ACD/KOC (pH 7.4): 345.73
Polar Surface Area: 26 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 159.5±3.0 cm3

Click to predict properties on the Chemicalize site






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