ChemSpider 2D Image | 1-[(4R,5R)-4,5-Dihydroxy-4-methyl-1-cyclohexen-1-yl]ethanone | C9H14O3

1-[(4R,5R)-4,5-Dihydroxy-4-methyl-1-cyclohexen-1-yl]ethanone

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID61683261

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4R,5R)-4,5-Dihydroxy-4-methyl-1-cyclohexen-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[(4R,5R)-4,5-Dihydroxy-4-methyl-1-cyclohexen-1-yl]ethanone [ACD/IUPAC Name]
1-[(4R,5R)-4,5-Dihydroxy-4-méthyl-1-cyclohexén-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(4R,5R)-4,5-dihydroxy-4-methyl-1-cyclohexen-1-yl]- [ACD/Index Name]
110330-19-3 [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: 298.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.5±6.0 kJ/mol
Flash Point: 148.8±23.8 °C
Index of Refraction: 1.539
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.56
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.56
Polar Surface Area: 58 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 141.4±3.0 cm3

Click to predict properties on the Chemicalize site


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