ChemSpider 2D Image | (4R,4aS,7R,7aR)-7-Hydroxy-4,7-dimethylhexahydrocyclopenta[c]pyran-3(1H)-one | C10H16O3

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

  • Molecular FormulaC10H16O3
  • Average mass184.232 Da
  • Monoisotopic mass184.109940 Da
  • ChemSpider ID28663252

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,4aS,7R,7aR)-7-Hydroxy-4,7-dimethylhexahydrocyclopenta[c]pyran-3(1H)-on [German] [ACD/IUPAC Name]
(4R,4aS,7R,7aR)-7-Hydroxy-4,7-dimethylhexahydrocyclopenta[c]pyran-3(1H)-one [ACD/IUPAC Name]
(4R,4aS,7R,7aR)-7-Hydroxy-4,7-diméthylhexahydrocyclopenta[c]pyran-3(1H)-one [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-3(1H)-one, hexahydro-7-hydroxy-4,7-dimethyl-, (4R,4aS,7R,7aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 326.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.9±6.0 kJ/mol
Flash Point: 142.1±15.9 °C
Index of Refraction: 1.493
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 90.89
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.82
ACD/KOC (pH 7.4): 90.89
Polar Surface Area: 47 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 163.6±3.0 cm3

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