ChemSpider 2D Image | 3-Hydroxy-5-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzoquinone | C15H20O3

3-Hydroxy-5-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzoquinone

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID28286580

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-5-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]- [ACD/Index Name]
3-Hydroxy-5-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzochinon [German] [ACD/IUPAC Name]
3-Hydroxy-5-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]-1,4-benzoquinone [ACD/IUPAC Name]
3-Hydroxy-5-méthyl-2-[(1S)-1,2,2-triméthylcyclopentyl]-1,4-benzoquinone [French] [ACD/IUPAC Name]
isodeoxyhelicobasidin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 345.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 177.0±24.4 °C
Index of Refraction: 1.546
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 8.10
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 216.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement