ChemSpider 2D Image | 2-Methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzoquinone | C15H20O2

2-Methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzoquinone

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID78441541

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]- [ACD/Index Name]
2-Methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzochinon [German] [ACD/IUPAC Name]
2-Methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzoquinone [ACD/IUPAC Name]
2-Méthyl-5-[(1S)-1,2,2-triméthylcyclopentyl]-1,4-benzoquinone [French] [ACD/IUPAC Name]
2,5-cuparadiene-1,4-dione

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

Density: 1.0±0.1 g/cm3
Boiling Point: 306.4±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.7±3.0 kJ/mol
Flash Point: 114.6±17.9 °C
Index of Refraction: 1.517
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 653.52
ACD/KOC (pH 5.5): 3603.83
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 653.52
ACD/KOC (pH 7.4): 3603.83
Polar Surface Area: 34 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 221.2±3.0 cm3

Click to predict properties on the Chemicalize site


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