ChemSpider 2D Image | (4aS,6R,7R,7aS)-6-Hydroxy-7-methylhexahydrocyclopenta[c]pyran-1(3H)-one | C9H14O3

(4aS,6R,7R,7aS)-6-Hydroxy-7-methylhexahydrocyclopenta[c]pyran-1(3H)-one

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID61446389

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,6R,7R,7aS)-6-Hydroxy-7-methylhexahydrocyclopenta[c]pyran-1(3H)-on [German] [ACD/IUPAC Name]
(4aS,6R,7R,7aS)-6-Hydroxy-7-methylhexahydrocyclopenta[c]pyran-1(3H)-one [ACD/IUPAC Name]
(4aS,6R,7R,7aS)-6-Hydroxy-7-méthylhexahydrocyclopenta[c]pyran-1(3H)-one [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-1(3H)-one, hexahydro-6-hydroxy-7-methyl-, (4aS,6R,7R,7aS)- [ACD/Index Name]
1932106-59-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 339.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 153.4±15.9 °C
Index of Refraction: 1.504
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.56
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 52.56
Polar Surface Area: 47 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 145.2±3.0 cm3

Click to predict properties on the Chemicalize site


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