ChemSpider 2D Image | MFCD11044933 | C21H27D3O2

MFCD11044933

  • Molecular FormulaC21H27D3O2
  • Average mass317.480 Da
  • Monoisotopic mass317.243408 Da
  • ChemSpider ID49073360

  • 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

1,3-Benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-(pentyl-5,5,5-d3)- [ACD/Index Name]
2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-[(5,5,5-2H3)pentyl]-1,3-benzenediol [ACD/IUPAC Name]
2-[(1R,6R)-6-Isopropényl-3-méthyl-2-cyclohexén-1-yl]-5-[(5,5,5-2H3)pentyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-[(5,5,5-2H3)pentyl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
200-659-6 [EINECS]
MFCD11044933
1435783-16-6 [RN]
Cannabidiol-D3missing

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

Density: 1.0±0.1 g/cm3
Boiling Point: 463.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 206.3±23.3 °C
Index of Refraction: 1.545
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45343.46
ACD/KOC (pH 5.5): 74938.88
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45089.62
ACD/KOC (pH 7.4): 74519.37
Polar Surface Area: 40 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 306.6±3.0 cm3

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