ChemSpider 2D Image | metachromin V | C21H30O2

metachromin V

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID26334389

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

1,4-Benzenediol, 2-[(2E)-5-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2-penten-1-yl]- [ACD/Index Name]
2-[(2E)-5-(2,2-Dimethyl-6-methylencyclohexyl)-3-methyl-2-penten-1-yl]-1,4-benzoldiol [German] [ACD/IUPAC Name]
2-[(2E)-5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2-penten-1-yl]-1,4-benzenediol [ACD/IUPAC Name]
2-[(2E)-5-(2,2-Diméthyl-6-méthylènecyclohexyl)-3-méthyl-2-pentén-1-yl]-1,4-benzènediol [French] [ACD/IUPAC Name]
metachromin V

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 458.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 203.1±19.2 °C
Index of Refraction: 1.556
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25169.89
ACD/KOC (pH 5.5): 49173.91
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25147.51
ACD/KOC (pH 7.4): 49130.20
Polar Surface Area: 40 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 300.1±5.0 cm3

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