ChemSpider 2D Image | 4-[(6S)-6-Hydroxy-5,5-dimethyl-1-cyclohexen-1-yl]benzoate | C15H17O3

4-[(6S)-6-Hydroxy-5,5-dimethyl-1-cyclohexen-1-yl]benzoate

  • Molecular FormulaC15H17O3
  • Average mass245.294 Da
  • Monoisotopic mass245.118317 Da
  • ChemSpider ID128920963

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(6S)-6-Hydroxy-5,5-dimethyl-1-cyclohexen-1-yl]benzoat [German] [ACD/IUPAC Name]
4-[(6S)-6-Hydroxy-5,5-dimethyl-1-cyclohexen-1-yl]benzoate [ACD/IUPAC Name]
4-[(6S)-6-Hydroxy-5,5-diméthyl-1-cyclohexén-1-yl]benzoate [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(6S)-6-hydroxy-5,5-dimethyl-1-cyclohexen-1-yl]-, ion(1-) [ACD/Index Name]
zealexin C3

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

Density:
Boiling Point: 412.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 217.1±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 74.45
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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