ChemSpider 2D Image | 2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-dimethoxy-5-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]benzene | C23H25D9O2

2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-dimethoxy-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]benzene

  • Molecular FormulaC23H25D9O2
  • Average mass351.570 Da
  • Monoisotopic mass351.312378 Da
  • ChemSpider ID107448397

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-dimethoxy-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]benzene [ACD/IUPAC Name]
2-[(1R,6R)-6-Isopropényl-3-méthyl-2-cyclohexén-1-yl]-1,3-diméthoxy-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]benzène [French] [ACD/IUPAC Name]
2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-dimethoxy-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1,3-dimethoxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-(pentyl-2,2,3,3,4,4,5,5,5-d9)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 438.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 143.3±28.3 °C
Index of Refraction: 1.508
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.20
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 343978.25
ACD/KOC (pH 5.5): 319611.19
ACD/LogD (pH 7.4): 7.59
ACD/BCF (pH 7.4): 343978.25
ACD/KOC (pH 7.4): 319611.19
Polar Surface Area: 18 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 357.8±3.0 cm3

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